(2R)-2-[9H-fluoren-9-ylmethoxycarbonyl(pent-4-ynyl)amino]propanoic acid

C23H23NO4 — CID 170987921

IUPAC(2R)-2-[9H-fluoren-9-ylmethoxycarbonyl(pent-4-ynyl)amino]propanoic acid
SMILESC#CCCCN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@H](C)C(=O)O
InChIInChI=1S/C23H23NO4/c1-3-4-9-14-24(16(2)22(25)26)23(27)28-15-21-19-12-7-5-10-17(19)18-11-6-8-13-20(18)21/h1,5-8,10-13,16,21H,4,9,14-15H2,2H3,(H,25,26)/t16-/m1/s1
InChIKeyPXRGTVVHCYJMCW-MRXNPFEDSA-N
MW377.44 g/mol
LogP4.12
Rot. Bonds7

About (2R)-2-[9H-fluoren-9-ylmethoxycarbonyl(pent-4-ynyl)amino]propanoic acid

(2R)-2-[9H-fluoren-9-ylmethoxycarbonyl(pent-4-ynyl)amino]propanoic acid (PubChem CID 170987921) has the molecular formula C23H23NO4 and a molecular weight of 377.44 g/mol. Its IUPAC name is (2R)-2-[9H-fluoren-9-ylmethoxycarbonyl(pent-4-ynyl)amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[9H-fluoren-9-ylmethoxycarbonyl(pent-4-ynyl)amino]propanoic acid
PubChem CID170987921
Molecular FormulaC23H23NO4
Molecular Weight377.44 g/mol
Exact Mass377.16
IUPAC Name(2R)-2-[9H-fluoren-9-ylmethoxycarbonyl(pent-4-ynyl)amino]propanoic acid
SMILESC#CCCCN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@H](C)C(=O)O
InChIInChI=1S/C23H23NO4/c1-3-4-9-14-24(16(2)22(25)26)23(27)28-15-21-19-12-7-5-10-17(19)18-11-6-8-13-20(18)21/h1,5-8,10-13,16,21H,4,9,14-15H2,2H3,(H,25,26)/t16-/m1/s1
InChIKeyPXRGTVVHCYJMCW-MRXNPFEDSA-N
XLogP4.12
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[9H-fluoren-9-ylmethoxycarbonyl(prop-2-ynyl)amino]propanoic acid
CID 175834362
(2S)-2-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]propanoic acid
CID 18650330
(2S)-2-[but-3-enyl(9H-fluoren-9-ylmethoxycarbonyl)amino]propanoic acid
CID 101472073
2-[benzyl(9H-fluoren-9-ylmethoxycarbonyl)amino]propanoic acid
CID 78063599
(2S)-2-[9H-fluoren-9-ylmethoxycarbonyl(prop-2-enyl)amino]propanoic acid
CID 57345952
2-[9H-fluoren-9-ylmethoxycarbonyl(methoxycarbonyl)amino]propanoic acid
CID 174989747
(2S)-2-[(4-chlorophenyl)methyl-(9H-fluoren-9-ylmethoxycarbonyl)amino]propanoic acid
CID 165470059
2-[9H-fluoren-9-ylmethoxycarbonyl(trifluoromethyl)amino]propanoic acid
CID 155888114
2-[dicyclopropylmethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]propanoic acid
CID 102482416
(2S)-2-[cyclobutyl(9H-fluoren-9-ylmethoxycarbonyl)amino]propanoic acid
CID 69233050
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)oct-7-ynoic acid
CID 25146167
2-[cyclopentyl(9H-fluoren-9-ylmethoxycarbonyl)amino]propanoic acid
CID 57367840

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[9H-fluoren-9-ylmethoxycarbonyl(pent-4-ynyl)amino]propanoic acid?
The IUPAC name of (2R)-2-[9H-fluoren-9-ylmethoxycarbonyl(pent-4-ynyl)amino]propanoic acid (CID 170987921) is (2R)-2-[9H-fluoren-9-ylmethoxycarbonyl(pent-4-ynyl)amino]propanoic acid.
What is the SMILES notation for (2R)-2-[9H-fluoren-9-ylmethoxycarbonyl(pent-4-ynyl)amino]propanoic acid?
The canonical SMILES for (2R)-2-[9H-fluoren-9-ylmethoxycarbonyl(pent-4-ynyl)amino]propanoic acid is C#CCCCN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@H](C)C(=O)O.
What is the InChIKey of (2R)-2-[9H-fluoren-9-ylmethoxycarbonyl(pent-4-ynyl)amino]propanoic acid?
The InChIKey is PXRGTVVHCYJMCW-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H23NO4/c1-3-4-9-14-24(16(2)22(25)26)23(27)28-15-21-19-12-7-5-10-17(19)18-11-6-8-13-20(18)21/h1,5-8,10-13,16,21H,4,9,14-15H2,2H3,(H,25,26)/t16-/m1/s1.
What are the key properties of (2R)-2-[9H-fluoren-9-ylmethoxycarbonyl(pent-4-ynyl)amino]propanoic acid?
(2R)-2-[9H-fluoren-9-ylmethoxycarbonyl(pent-4-ynyl)amino]propanoic acid has a molecular weight of 377.44 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[9H-fluoren-9-ylmethoxycarbonyl(pent-4-ynyl)amino]propanoic acid is sourced from PubChem (CID 170987921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).