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

C21H19NO4 — CID 175834362

IUPAC(2R)-2-[9H-fluoren-9-ylmethoxycarbonyl(prop-2-ynyl)amino]propanoic acid
SMILESC#CCN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@H](C)C(=O)O
InChIInChI=1S/C21H19NO4/c1-3-12-22(14(2)20(23)24)21(25)26-13-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h1,4-11,14,19H,12-13H2,2H3,(H,23,24)/t14-/m1/s1
InChIKeyLBDSNJMYTHIUGZ-CQSZACIVSA-N
MW349.39 g/mol
LogP3.34
Rot. Bonds5

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

(2R)-2-[9H-fluoren-9-ylmethoxycarbonyl(prop-2-ynyl)amino]propanoic acid (PubChem CID 175834362) has the molecular formula C21H19NO4 and a molecular weight of 349.39 g/mol. Its IUPAC name is (2R)-2-[9H-fluoren-9-ylmethoxycarbonyl(prop-2-ynyl)amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[9H-fluoren-9-ylmethoxycarbonyl(prop-2-ynyl)amino]propanoic acid
PubChem CID175834362
Molecular FormulaC21H19NO4
Molecular Weight349.39 g/mol
Exact Mass349.13
IUPAC Name(2R)-2-[9H-fluoren-9-ylmethoxycarbonyl(prop-2-ynyl)amino]propanoic acid
SMILESC#CCN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@H](C)C(=O)O
InChIInChI=1S/C21H19NO4/c1-3-12-22(14(2)20(23)24)21(25)26-13-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h1,4-11,14,19H,12-13H2,2H3,(H,23,24)/t14-/m1/s1
InChIKeyLBDSNJMYTHIUGZ-CQSZACIVSA-N
XLogP3.34
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[9H-fluoren-9-ylmethoxycarbonyl(pent-4-ynyl)amino]propanoic acid
CID 170987921
(2S)-2-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]propanoic acid
CID 18650330
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
(2S)-2-[but-3-enyl(9H-fluoren-9-ylmethoxycarbonyl)amino]propanoic acid
CID 101472073
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
(2S)-2-[cyclobutyl(9H-fluoren-9-ylmethoxycarbonyl)amino]propanoic acid
CID 69233050
2-[dicyclopropylmethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]propanoic acid
CID 102482416
2-[cyclopentyl(9H-fluoren-9-ylmethoxycarbonyl)amino]propanoic acid
CID 57367840
2-[9H-fluoren-9-ylmethoxycarbonyl(1-hydroxyethyl)amino]acetic acid
CID 22364292

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[9H-fluoren-9-ylmethoxycarbonyl(prop-2-ynyl)amino]propanoic acid?
The IUPAC name of (2R)-2-[9H-fluoren-9-ylmethoxycarbonyl(prop-2-ynyl)amino]propanoic acid (CID 175834362) is (2R)-2-[9H-fluoren-9-ylmethoxycarbonyl(prop-2-ynyl)amino]propanoic acid.
What is the SMILES notation for (2R)-2-[9H-fluoren-9-ylmethoxycarbonyl(prop-2-ynyl)amino]propanoic acid?
The canonical SMILES for (2R)-2-[9H-fluoren-9-ylmethoxycarbonyl(prop-2-ynyl)amino]propanoic acid is C#CCN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@H](C)C(=O)O.
What is the InChIKey of (2R)-2-[9H-fluoren-9-ylmethoxycarbonyl(prop-2-ynyl)amino]propanoic acid?
The InChIKey is LBDSNJMYTHIUGZ-CQSZACIVSA-N. The full InChI is InChI=1S/C21H19NO4/c1-3-12-22(14(2)20(23)24)21(25)26-13-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h1,4-11,14,19H,12-13H2,2H3,(H,23,24)/t14-/m1/s1.
What are the key properties of (2R)-2-[9H-fluoren-9-ylmethoxycarbonyl(prop-2-ynyl)amino]propanoic acid?
(2R)-2-[9H-fluoren-9-ylmethoxycarbonyl(prop-2-ynyl)amino]propanoic acid has a molecular weight of 349.39 g/mol, XLogP of 3.34, 5 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(prop-2-ynyl)amino]propanoic acid is sourced from PubChem (CID 175834362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).