2-[[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]-3-hydroxy-2-methylpropanoic acid

C22H24N2O6 — CID 165482016

IUPAC2-[[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]-3-hydroxy-2-methylpropanoic acid
SMILESC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC(C)(CO)C(=O)O
InChIInChI=1S/C22H24N2O6/c1-13(19(26)24-22(2,12-25)20(27)28)23-21(29)30-11-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-10,13,18,25H,11-12H2,1-2H3,(H,23,29)(H,24,26)(H,27,28)/t13-,22?/m1/s1
InChIKeyZYVSRRZQMRSLOA-BXWDTWGJSA-N
MW412.44 g/mol
LogP1.87
Rot. Bonds7

About 2-[[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]-3-hydroxy-2-methylpropanoic acid

2-[[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]-3-hydroxy-2-methylpropanoic acid (PubChem CID 165482016) has the molecular formula C22H24N2O6 and a molecular weight of 412.44 g/mol. Its IUPAC name is 2-[[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]-3-hydroxy-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]-3-hydroxy-2-methylpropanoic acid
PubChem CID165482016
Molecular FormulaC22H24N2O6
Molecular Weight412.44 g/mol
Exact Mass412.16
IUPAC Name2-[[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]-3-hydroxy-2-methylpropanoic acid
SMILESC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC(C)(CO)C(=O)O
InChIInChI=1S/C22H24N2O6/c1-13(19(26)24-22(2,12-25)20(27)28)23-21(29)30-11-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-10,13,18,25H,11-12H2,1-2H3,(H,23,29)(H,24,26)(H,27,28)/t13-,22?/m1/s1
InChIKeyZYVSRRZQMRSLOA-BXWDTWGJSA-N
XLogP1.87
TPSA124.96 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.44
LogP ≤ 51.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 2-[[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]-3-hydroxy-2-methylpropanoic acid with MolForge

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Related Compounds

2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid;hydrochloride
CID 77247911
(2S)-2-(9H-fluoren-9-ylmethoxycarbonyl(15N)amino)propanoic acid;hydrate
CID 45157536
9H-fluoren-9-ylmethyl N-[1-oxo-1-[[1-oxo-1-(3-oxobutan-2-ylamino)propan-2-yl]amino]propan-2-yl]carbamate
CID 58937812
methyl (2R)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]-2-methyl-3-tritylsulfanylpropanoate
CID 11571138
2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]-3-methylbutanoic acid
CID 71343106
9H-fluoren-9-ylmethyl N-(1-amino-1-oxopropan-2-yl)carbamate
CID 22905931
4-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]benzoic acid
CID 67117093
(2S)-2-[[(2S)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]-4-methylpentanoyl]amino]propanoic acid
CID 22943221
(2S,3S)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]-3-methylpentanoic acid
CID 11729562
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylbutanedioic acid
CID 56924002
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methyl-3-methylsulfonylpropanoic acid
CID 91128209
9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxypropan-2-yl]carbamate
CID 6924106

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]-3-hydroxy-2-methylpropanoic acid?
The IUPAC name of 2-[[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]-3-hydroxy-2-methylpropanoic acid (CID 165482016) is 2-[[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]-3-hydroxy-2-methylpropanoic acid.
What is the SMILES notation for 2-[[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]-3-hydroxy-2-methylpropanoic acid?
The canonical SMILES for 2-[[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]-3-hydroxy-2-methylpropanoic acid is C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC(C)(CO)C(=O)O.
What is the InChIKey of 2-[[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]-3-hydroxy-2-methylpropanoic acid?
The InChIKey is ZYVSRRZQMRSLOA-BXWDTWGJSA-N. The full InChI is InChI=1S/C22H24N2O6/c1-13(19(26)24-22(2,12-25)20(27)28)23-21(29)30-11-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-10,13,18,25H,11-12H2,1-2H3,(H,23,29)(H,24,26)(H,27,28)/t13-,22?/m1/s1.
What are the key properties of 2-[[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]-3-hydroxy-2-methylpropanoic acid?
2-[[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]-3-hydroxy-2-methylpropanoic acid has a molecular weight of 412.44 g/mol, XLogP of 1.87, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]-3-hydroxy-2-methylpropanoic acid is sourced from PubChem (CID 165482016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).