(2R)-2-[[(2R)-2-amino-3-(1-methylindol-3-yl)propanoyl]amino]-3-pyridin-2-ylpropanoic acid

C20H22N4O3 — CID 142660945

IUPAC(2R)-2-[[(2R)-2-amino-3-(1-methylindol-3-yl)propanoyl]amino]-3-pyridin-2-ylpropanoic acid
SMILESCn1cc(C[C@@H](N)C(=O)N[C@H](Cc2ccccn2)C(=O)O)c2ccccc21
InChIInChI=1S/C20H22N4O3/c1-24-12-13(15-7-2-3-8-18(15)24)10-16(21)19(25)23-17(20(26)27)11-14-6-4-5-9-22-14/h2-9,12,16-17H,10-11,21H2,1H3,(H,23,25)(H,26,27)/t16-,17-/m1/s1
InChIKeyMMXOHSMCKZZZAM-IAGOWNOFSA-N
MW366.42 g/mol
LogP1.26
Rot. Bonds7

About (2R)-2-[[(2R)-2-amino-3-(1-methylindol-3-yl)propanoyl]amino]-3-pyridin-2-ylpropanoic acid

(2R)-2-[[(2R)-2-amino-3-(1-methylindol-3-yl)propanoyl]amino]-3-pyridin-2-ylpropanoic acid (PubChem CID 142660945) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is (2R)-2-[[(2R)-2-amino-3-(1-methylindol-3-yl)propanoyl]amino]-3-pyridin-2-ylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-[[(2R)-2-amino-3-(1-methylindol-3-yl)propanoyl]amino]-3-pyridin-2-ylpropanoic acid
PubChem CID142660945
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name(2R)-2-[[(2R)-2-amino-3-(1-methylindol-3-yl)propanoyl]amino]-3-pyridin-2-ylpropanoic acid
SMILESCn1cc(C[C@@H](N)C(=O)N[C@H](Cc2ccccn2)C(=O)O)c2ccccc21
InChIInChI=1S/C20H22N4O3/c1-24-12-13(15-7-2-3-8-18(15)24)10-16(21)19(25)23-17(20(26)27)11-14-6-4-5-9-22-14/h2-9,12,16-17H,10-11,21H2,1H3,(H,23,25)(H,26,27)/t16-,17-/m1/s1
InChIKeyMMXOHSMCKZZZAM-IAGOWNOFSA-N
XLogP1.26
TPSA110.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2R)-2-[[(2R)-2-amino-3-(1-methylindol-3-yl)propanoyl]amino]-3-pyridin-2-ylpropanoic 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

(2R)-2-[[(2R)-2-amino-3-(1-methylindol-3-yl)propanoyl]amino]-3-(1-methylindol-3-yl)propanoic acid;hydrochloride
CID 126483105
2-amino-3-(1-methylindol-3-yl)propanoic acid;hydrochloride
CID 134497135
(2R)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-(1-methylindol-3-yl)propanoic acid
CID 126482760
(2R)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-(1-methylindol-3-yl)propanoic acid;sulfuric acid
CID 164615812
(2R)-2-acetamido-3-(1-methylindol-3-yl)propanoic acid
CID 95466654
(2R)-2-[[(2S)-2-amino-3-methylpentanoyl]amino]-3-(1-methylindol-3-yl)propanoic acid;hydrochloride
CID 126483037
(2R)-2-[[(2S)-5-amino-2-(chloroamino)-5-oxopentanoyl]amino]-3-(1-methylindol-3-yl)propanoic acid
CID 126498928
(2R)-2-[(2-aminoacetyl)amino]-3-(1-methylindol-3-yl)propanoic acid;hydrochloride
CID 126483330
ethyl (2R)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-(1-methylindol-3-yl)propanoate;hydrochloride
CID 162305317
(2R)-2-(ethoxycarbonylamino)-3-(1-methylindol-3-yl)propanoic acid
CID 126483278
(2R)-2-(methylamino)-3-(1-methylindol-3-yl)propanoic acid
CID 71052009
(2R)-2-(chloroamino)-3-(1-methylindol-3-yl)propanoic acid
CID 155104980

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2R)-2-amino-3-(1-methylindol-3-yl)propanoyl]amino]-3-pyridin-2-ylpropanoic acid?
The IUPAC name of (2R)-2-[[(2R)-2-amino-3-(1-methylindol-3-yl)propanoyl]amino]-3-pyridin-2-ylpropanoic acid (CID 142660945) is (2R)-2-[[(2R)-2-amino-3-(1-methylindol-3-yl)propanoyl]amino]-3-pyridin-2-ylpropanoic acid.
What is the SMILES notation for (2R)-2-[[(2R)-2-amino-3-(1-methylindol-3-yl)propanoyl]amino]-3-pyridin-2-ylpropanoic acid?
The canonical SMILES for (2R)-2-[[(2R)-2-amino-3-(1-methylindol-3-yl)propanoyl]amino]-3-pyridin-2-ylpropanoic acid is Cn1cc(C[C@@H](N)C(=O)N[C@H](Cc2ccccn2)C(=O)O)c2ccccc21.
What is the InChIKey of (2R)-2-[[(2R)-2-amino-3-(1-methylindol-3-yl)propanoyl]amino]-3-pyridin-2-ylpropanoic acid?
The InChIKey is MMXOHSMCKZZZAM-IAGOWNOFSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-24-12-13(15-7-2-3-8-18(15)24)10-16(21)19(25)23-17(20(26)27)11-14-6-4-5-9-22-14/h2-9,12,16-17H,10-11,21H2,1H3,(H,23,25)(H,26,27)/t16-,17-/m1/s1.
What are the key properties of (2R)-2-[[(2R)-2-amino-3-(1-methylindol-3-yl)propanoyl]amino]-3-pyridin-2-ylpropanoic acid?
(2R)-2-[[(2R)-2-amino-3-(1-methylindol-3-yl)propanoyl]amino]-3-pyridin-2-ylpropanoic acid has a molecular weight of 366.42 g/mol, XLogP of 1.26, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(2R)-2-amino-3-(1-methylindol-3-yl)propanoyl]amino]-3-pyridin-2-ylpropanoic acid is sourced from PubChem (CID 142660945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).