(2S)-2-[(2-aminoacetyl)amino]-3-(1H-indol-2-yl)propanoic acid

C13H15N3O3 — CID 14678463

IUPAC(2S)-2-[(2-aminoacetyl)amino]-3-(1H-indol-2-yl)propanoic acid
SMILESNCC(=O)N[C@@H](Cc1cc2ccccc2[nH]1)C(=O)O
InChIInChI=1S/C13H15N3O3/c14-7-12(17)16-11(13(18)19)6-9-5-8-3-1-2-4-10(8)15-9/h1-5,11,15H,6-7,14H2,(H,16,17)(H,18,19)/t11-/m0/s1
InChIKeyGDIWUPZIFAWBPC-NSHDSACASA-N
MW261.28 g/mol
LogP0.24
Rot. Bonds5

About (2S)-2-[(2-aminoacetyl)amino]-3-(1H-indol-2-yl)propanoic acid

(2S)-2-[(2-aminoacetyl)amino]-3-(1H-indol-2-yl)propanoic acid (PubChem CID 14678463) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is (2S)-2-[(2-aminoacetyl)amino]-3-(1H-indol-2-yl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-[(2-aminoacetyl)amino]-3-(1H-indol-2-yl)propanoic acid
PubChem CID14678463
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name(2S)-2-[(2-aminoacetyl)amino]-3-(1H-indol-2-yl)propanoic acid
SMILESNCC(=O)N[C@@H](Cc1cc2ccccc2[nH]1)C(=O)O
InChIInChI=1S/C13H15N3O3/c14-7-12(17)16-11(13(18)19)6-9-5-8-3-1-2-4-10(8)15-9/h1-5,11,15H,6-7,14H2,(H,16,17)(H,18,19)/t11-/m0/s1
InChIKeyGDIWUPZIFAWBPC-NSHDSACASA-N
XLogP0.24
TPSA108.21 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1H-indol-2-yl)-2-methylpropanoic acid
CID 22476899
(2S)-2-[(2-aminoacetyl)amino]-3-phenylpropanoic acid;hydrobromide
CID 70545429
(2S)-3-(1H-indol-2-yl)-2-[(5-methoxy-1-benzofuran-2-carbonyl)amino]propanoic acid
CID 67998256
N-(1-hydroxy-3-phenylpropan-2-yl)-3-(1H-indol-2-yl)-2-methylpropanamide
CID 19047777
dimethyl 2-(1H-indol-2-ylmethyl)propanedioate
CID 132519173
2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-(1H-indol-2-yl)propanoic acid
CID 4527842
1-(1H-indol-2-yl)-2-(iodoamino)-4-methylpentan-3-one
CID 176556183
2-azaniumyl-3-(1H-indol-2-yl)propanoate
CID 23278059
2-amino-N-(1H-indol-2-yl)acetamide
CID 91622739
ethyl N-[1-(1H-indol-2-yl)-4-methyl-3-oxopent-4-en-2-yl]carbamate
CID 89434536
2-[[2-[[2-[(2-aminoacetyl)amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoic acid
CID 18490161
2-[[2-[[2-[(2-aminoacetyl)amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoic acid
CID 18490909

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-aminoacetyl)amino]-3-(1H-indol-2-yl)propanoic acid?
The IUPAC name of (2S)-2-[(2-aminoacetyl)amino]-3-(1H-indol-2-yl)propanoic acid (CID 14678463) is (2S)-2-[(2-aminoacetyl)amino]-3-(1H-indol-2-yl)propanoic acid.
What is the SMILES notation for (2S)-2-[(2-aminoacetyl)amino]-3-(1H-indol-2-yl)propanoic acid?
The canonical SMILES for (2S)-2-[(2-aminoacetyl)amino]-3-(1H-indol-2-yl)propanoic acid is NCC(=O)N[C@@H](Cc1cc2ccccc2[nH]1)C(=O)O.
What is the InChIKey of (2S)-2-[(2-aminoacetyl)amino]-3-(1H-indol-2-yl)propanoic acid?
The InChIKey is GDIWUPZIFAWBPC-NSHDSACASA-N. The full InChI is InChI=1S/C13H15N3O3/c14-7-12(17)16-11(13(18)19)6-9-5-8-3-1-2-4-10(8)15-9/h1-5,11,15H,6-7,14H2,(H,16,17)(H,18,19)/t11-/m0/s1.
What are the key properties of (2S)-2-[(2-aminoacetyl)amino]-3-(1H-indol-2-yl)propanoic acid?
(2S)-2-[(2-aminoacetyl)amino]-3-(1H-indol-2-yl)propanoic acid has a molecular weight of 261.28 g/mol, XLogP of 0.24, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-aminoacetyl)amino]-3-(1H-indol-2-yl)propanoic acid is sourced from PubChem (CID 14678463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).