[2-[(2R)-2-aminopropanoyl]oxy-3-[9H-fluoren-9-ylmethoxycarbonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl] (2R)-2-aminopropanoate

C29H37N3O8 — CID 91242427

IUPAC[2-[(2R)-2-aminopropanoyl]oxy-3-[9H-fluoren-9-ylmethoxycarbonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl] (2R)-2-aminopropanoate
SMILESC[C@@H](N)C(=O)OCC(CN(C(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OC(C)(C)C)OC(=O)[C@@H](C)N
InChIInChI=1S/C29H37N3O8/c1-17(30)25(33)37-15-19(39-26(34)18(2)31)14-32(28(36)40-29(3,4)5)27(35)38-16-24-22-12-8-6-10-20(22)21-11-7-9-13-23(21)24/h6-13,17-19,24H,14-16,30-31H2,1-5H3/t17-,18-,19?/m1/s1
InChIKeyTYBSCQIZUXJJNL-PWCSWUJKSA-N
MW555.63 g/mol
LogP3.32
Rot. Bonds9

About [2-[(2R)-2-aminopropanoyl]oxy-3-[9H-fluoren-9-ylmethoxycarbonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl] (2R)-2-aminopropanoate

[2-[(2R)-2-aminopropanoyl]oxy-3-[9H-fluoren-9-ylmethoxycarbonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl] (2R)-2-aminopropanoate (PubChem CID 91242427) has the molecular formula C29H37N3O8 and a molecular weight of 555.63 g/mol. Its IUPAC name is [2-[(2R)-2-aminopropanoyl]oxy-3-[9H-fluoren-9-ylmethoxycarbonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl] (2R)-2-aminopropanoate.

Molecular Properties

Compound Name[2-[(2R)-2-aminopropanoyl]oxy-3-[9H-fluoren-9-ylmethoxycarbonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl] (2R)-2-aminopropanoate
PubChem CID91242427
Molecular FormulaC29H37N3O8
Molecular Weight555.63 g/mol
Exact Mass555.26
IUPAC Name[2-[(2R)-2-aminopropanoyl]oxy-3-[9H-fluoren-9-ylmethoxycarbonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl] (2R)-2-aminopropanoate
SMILESC[C@@H](N)C(=O)OCC(CN(C(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OC(C)(C)C)OC(=O)[C@@H](C)N
InChIInChI=1S/C29H37N3O8/c1-17(30)25(33)37-15-19(39-26(34)18(2)31)14-32(28(36)40-29(3,4)5)27(35)38-16-24-22-12-8-6-10-20(22)21-11-7-9-13-23(21)24/h6-13,17-19,24H,14-16,30-31H2,1-5H3/t17-,18-,19?/m1/s1
InChIKeyTYBSCQIZUXJJNL-PWCSWUJKSA-N
XLogP3.32
TPSA160.48 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500555.63
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze [2-[(2R)-2-aminopropanoyl]oxy-3-[9H-fluoren-9-ylmethoxycarbonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl] (2R)-2-aminopropanoate with MolForge

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Related Compounds

2-amino-4-[9H-fluoren-9-ylmethoxycarbonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid
CID 91199963
tert-butyl 4-amino-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-4-oxobutanoate
CID 175492314
tert-butyl 2-[(9H-fluoren-9-ylmethoxycarbonylamino)-(2-methylpropyl)amino]acetate
CID 101025397
(2S)-2-[9H-fluoren-9-ylmethoxycarbonyl-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]amino]propanoic acid
CID 165463246
(4R)-4-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
CID 172915965
9H-fluoren-9-ylmethyl N-amino-N-methylcarbamate
CID 10563828
(2S)-2-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]propanoic acid
CID 18650330
9H-fluoren-9-ylmethyl N-hydroxy-N-propylcarbamate
CID 86810454
tert-butyl (2S)-2-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-3-(4-methylphenyl)propanoate
CID 155135625
tert-butyl (2S)-2-[[(2S)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-phenylpropanoyl]-methylamino]propanoate
CID 162703992
9H-fluoren-9-ylmethyl 2-amino-3-methylbutanoate
CID 4038449
9H-fluoren-9-ylmethyl (3S)-3-amino-4-[(2-methylpropan-2-yl)oxy]-2-oxobutanoate
CID 175773392

Frequently Asked Questions

What is the IUPAC name of [2-[(2R)-2-aminopropanoyl]oxy-3-[9H-fluoren-9-ylmethoxycarbonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl] (2R)-2-aminopropanoate?
The IUPAC name of [2-[(2R)-2-aminopropanoyl]oxy-3-[9H-fluoren-9-ylmethoxycarbonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl] (2R)-2-aminopropanoate (CID 91242427) is [2-[(2R)-2-aminopropanoyl]oxy-3-[9H-fluoren-9-ylmethoxycarbonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl] (2R)-2-aminopropanoate.
What is the SMILES notation for [2-[(2R)-2-aminopropanoyl]oxy-3-[9H-fluoren-9-ylmethoxycarbonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl] (2R)-2-aminopropanoate?
The canonical SMILES for [2-[(2R)-2-aminopropanoyl]oxy-3-[9H-fluoren-9-ylmethoxycarbonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl] (2R)-2-aminopropanoate is C[C@@H](N)C(=O)OCC(CN(C(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OC(C)(C)C)OC(=O)[C@@H](C)N.
What is the InChIKey of [2-[(2R)-2-aminopropanoyl]oxy-3-[9H-fluoren-9-ylmethoxycarbonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl] (2R)-2-aminopropanoate?
The InChIKey is TYBSCQIZUXJJNL-PWCSWUJKSA-N. The full InChI is InChI=1S/C29H37N3O8/c1-17(30)25(33)37-15-19(39-26(34)18(2)31)14-32(28(36)40-29(3,4)5)27(35)38-16-24-22-12-8-6-10-20(22)21-11-7-9-13-23(21)24/h6-13,17-19,24H,14-16,30-31H2,1-5H3/t17-,18-,19?/m1/s1.
What are the key properties of [2-[(2R)-2-aminopropanoyl]oxy-3-[9H-fluoren-9-ylmethoxycarbonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl] (2R)-2-aminopropanoate?
[2-[(2R)-2-aminopropanoyl]oxy-3-[9H-fluoren-9-ylmethoxycarbonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl] (2R)-2-aminopropanoate has a molecular weight of 555.63 g/mol, XLogP of 3.32, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2R)-2-aminopropanoyl]oxy-3-[9H-fluoren-9-ylmethoxycarbonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl] (2R)-2-aminopropanoate is sourced from PubChem (CID 91242427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).