(2S)-2-[(7-fluoro-1H-indole-2-carbonyl)amino]propanoic acid

C12H11FN2O3 — CID 110835870

IUPAC(2S)-2-[(7-fluoro-1H-indole-2-carbonyl)amino]propanoic acid
SMILESC[C@H](NC(=O)c1cc2cccc(F)c2[nH]1)C(=O)O
InChIInChI=1S/C12H11FN2O3/c1-6(12(17)18)14-11(16)9-5-7-3-2-4-8(13)10(7)15-9/h2-6,15H,1H3,(H,14,16)(H,17,18)/t6-/m0/s1
InChIKeyIMFDHCZXFBLDHE-LURJTMIESA-N
MW250.23 g/mol
LogP1.51
Rot. Bonds3

About (2S)-2-[(7-fluoro-1H-indole-2-carbonyl)amino]propanoic acid

(2S)-2-[(7-fluoro-1H-indole-2-carbonyl)amino]propanoic acid (PubChem CID 110835870) has the molecular formula C12H11FN2O3 and a molecular weight of 250.23 g/mol. Its IUPAC name is (2S)-2-[(7-fluoro-1H-indole-2-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[(7-fluoro-1H-indole-2-carbonyl)amino]propanoic acid
PubChem CID110835870
Molecular FormulaC12H11FN2O3
Molecular Weight250.23 g/mol
Exact Mass250.08
IUPAC Name(2S)-2-[(7-fluoro-1H-indole-2-carbonyl)amino]propanoic acid
SMILESC[C@H](NC(=O)c1cc2cccc(F)c2[nH]1)C(=O)O
InChIInChI=1S/C12H11FN2O3/c1-6(12(17)18)14-11(16)9-5-7-3-2-4-8(13)10(7)15-9/h2-6,15H,1H3,(H,14,16)(H,17,18)/t6-/m0/s1
InChIKeyIMFDHCZXFBLDHE-LURJTMIESA-N
XLogP1.51
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze (2S)-2-[(7-fluoro-1H-indole-2-carbonyl)amino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(7-fluoro-1H-indol-2-yl)methanone
CID 152595291
5-chloro-7-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide
CID 118425259
(2S)-2-[(7-methyl-1H-indole-2-carbonyl)amino]butanedioic acid
CID 170158987
2-[(8-fluoroquinoline-3-carbonyl)amino]propanoic acid
CID 110489629
2-methyl-3-[(7-methyl-1H-indole-2-carbonyl)amino]propanoic acid
CID 110834914
(2S)-2-[(4,7-dimethoxy-1H-indole-2-carbonyl)amino]propanoic acid
CID 51342241
(2S)-2-[(5-methoxy-1H-indole-2-carbonyl)amino]propanoic acid
CID 110834885
(2S)-2-[[3-[[(1S)-1-carboxyethyl]carbamoyl]benzoyl]amino]propanoic acid
CID 40571628
(2R)-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]propanoic acid
CID 54991567
7-amino-N-(1,3-dihydroxypropan-2-yl)-1H-indole-2-carboxamide
CID 65309948
N-(1,3-benzodioxol-5-yl)-7-fluoro-1H-indole-2-carboxamide
CID 110863157
N-butan-2-yl-7-methoxy-1H-indole-2-carboxamide
CID 110848409

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(7-fluoro-1H-indole-2-carbonyl)amino]propanoic acid?
The IUPAC name of (2S)-2-[(7-fluoro-1H-indole-2-carbonyl)amino]propanoic acid (CID 110835870) is (2S)-2-[(7-fluoro-1H-indole-2-carbonyl)amino]propanoic acid.
What is the SMILES notation for (2S)-2-[(7-fluoro-1H-indole-2-carbonyl)amino]propanoic acid?
The canonical SMILES for (2S)-2-[(7-fluoro-1H-indole-2-carbonyl)amino]propanoic acid is C[C@H](NC(=O)c1cc2cccc(F)c2[nH]1)C(=O)O.
What is the InChIKey of (2S)-2-[(7-fluoro-1H-indole-2-carbonyl)amino]propanoic acid?
The InChIKey is IMFDHCZXFBLDHE-LURJTMIESA-N. The full InChI is InChI=1S/C12H11FN2O3/c1-6(12(17)18)14-11(16)9-5-7-3-2-4-8(13)10(7)15-9/h2-6,15H,1H3,(H,14,16)(H,17,18)/t6-/m0/s1.
What are the key properties of (2S)-2-[(7-fluoro-1H-indole-2-carbonyl)amino]propanoic acid?
(2S)-2-[(7-fluoro-1H-indole-2-carbonyl)amino]propanoic acid has a molecular weight of 250.23 g/mol, XLogP of 1.51, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(7-fluoro-1H-indole-2-carbonyl)amino]propanoic acid is sourced from PubChem (CID 110835870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).