(2R)-2-[[(2R)-2-amino-3-(1-methylindol-3-yl)propanoyl]amino]-3-(1-methylindol-3-yl)propanoic acid;hydrochloride

C24H27ClN4O3 — CID 126483105

IUPAC(2R)-2-[[(2R)-2-amino-3-(1-methylindol-3-yl)propanoyl]amino]-3-(1-methylindol-3-yl)propanoic acid;hydrochloride
SMILESCl.Cn1cc(C[C@@H](N)C(=O)N[C@H](Cc2cn(C)c3ccccc23)C(=O)O)c2ccccc21
InChIInChI=1S/C24H26N4O3.ClH/c1-27-13-15(17-7-3-5-9-21(17)27)11-19(25)23(29)26-20(24(30)31)12-16-14-28(2)22-10-6-4-8-18(16)22;/h3-10,13-14,19-20H,11-12,25H2,1-2H3,(H,26,29)(H,30,31);1H/t19-,20-;/m1./s1
InChIKeyGAKUGLKIZHTELW-GZJHNZOKSA-N
MW454.96 g/mol
LogP2.77
Rot. Bonds7

About (2R)-2-[[(2R)-2-amino-3-(1-methylindol-3-yl)propanoyl]amino]-3-(1-methylindol-3-yl)propanoic acid;hydrochloride

(2R)-2-[[(2R)-2-amino-3-(1-methylindol-3-yl)propanoyl]amino]-3-(1-methylindol-3-yl)propanoic acid;hydrochloride (PubChem CID 126483105) has the molecular formula C24H27ClN4O3 and a molecular weight of 454.96 g/mol. Its IUPAC name is (2R)-2-[[(2R)-2-amino-3-(1-methylindol-3-yl)propanoyl]amino]-3-(1-methylindol-3-yl)propanoic acid;hydrochloride.

Molecular Properties

Compound Name(2R)-2-[[(2R)-2-amino-3-(1-methylindol-3-yl)propanoyl]amino]-3-(1-methylindol-3-yl)propanoic acid;hydrochloride
PubChem CID126483105
Molecular FormulaC24H27ClN4O3
Molecular Weight454.96 g/mol
Exact Mass454.18
IUPAC Name(2R)-2-[[(2R)-2-amino-3-(1-methylindol-3-yl)propanoyl]amino]-3-(1-methylindol-3-yl)propanoic acid;hydrochloride
SMILESCl.Cn1cc(C[C@@H](N)C(=O)N[C@H](Cc2cn(C)c3ccccc23)C(=O)O)c2ccccc21
InChIInChI=1S/C24H26N4O3.ClH/c1-27-13-15(17-7-3-5-9-21(17)27)11-19(25)23(29)26-20(24(30)31)12-16-14-28(2)22-10-6-4-8-18(16)22;/h3-10,13-14,19-20H,11-12,25H2,1-2H3,(H,26,29)(H,30,31);1H/t19-,20-;/m1./s1
InChIKeyGAKUGLKIZHTELW-GZJHNZOKSA-N
XLogP2.77
TPSA102.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.96
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2R)-2-[[(2R)-2-amino-3-(1-methylindol-3-yl)propanoyl]amino]-3-(1-methylindol-3-yl)propanoic acid;hydrochloride 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-pyridin-2-ylpropanoic acid
CID 142660945
(2R)-2-[[(2S)-2-amino-3-methylpentanoyl]amino]-3-(1-methylindol-3-yl)propanoic acid;hydrochloride
CID 126483037
2-amino-3-(1-methylindol-3-yl)propanoic acid;hydrochloride
CID 134497135
(2R)-2-[(2-aminoacetyl)amino]-3-(1-methylindol-3-yl)propanoic acid;hydrochloride
CID 126483330
(2R)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-(1-methylindol-3-yl)propanoic acid
CID 126482760
(2R)-2-acetamido-3-(1-methylindol-3-yl)propanoic acid
CID 95466654
ethyl (2R)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-(1-methylindol-3-yl)propanoate;hydrochloride
CID 162305317
(2R)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-(1-methylindol-3-yl)propanoic acid;sulfuric acid
CID 164615812
(2R)-2-[[(2S)-5-amino-2-(chloroamino)-5-oxopentanoyl]amino]-3-(1-methylindol-3-yl)propanoic acid
CID 126498928
(2R)-2-(ethoxycarbonylamino)-3-(1-methylindol-3-yl)propanoic acid
CID 126483278
(2R)-2-(chloroamino)-3-(1-methylindol-3-yl)propanoic acid
CID 155104980
(2R)-2-(methylamino)-3-(1-methylindol-3-yl)propanoic acid
CID 71052009

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2R)-2-amino-3-(1-methylindol-3-yl)propanoyl]amino]-3-(1-methylindol-3-yl)propanoic acid;hydrochloride?
The IUPAC name of (2R)-2-[[(2R)-2-amino-3-(1-methylindol-3-yl)propanoyl]amino]-3-(1-methylindol-3-yl)propanoic acid;hydrochloride (CID 126483105) is (2R)-2-[[(2R)-2-amino-3-(1-methylindol-3-yl)propanoyl]amino]-3-(1-methylindol-3-yl)propanoic acid;hydrochloride.
What is the SMILES notation for (2R)-2-[[(2R)-2-amino-3-(1-methylindol-3-yl)propanoyl]amino]-3-(1-methylindol-3-yl)propanoic acid;hydrochloride?
The canonical SMILES for (2R)-2-[[(2R)-2-amino-3-(1-methylindol-3-yl)propanoyl]amino]-3-(1-methylindol-3-yl)propanoic acid;hydrochloride is Cl.Cn1cc(C[C@@H](N)C(=O)N[C@H](Cc2cn(C)c3ccccc23)C(=O)O)c2ccccc21.
What is the InChIKey of (2R)-2-[[(2R)-2-amino-3-(1-methylindol-3-yl)propanoyl]amino]-3-(1-methylindol-3-yl)propanoic acid;hydrochloride?
The InChIKey is GAKUGLKIZHTELW-GZJHNZOKSA-N. The full InChI is InChI=1S/C24H26N4O3.ClH/c1-27-13-15(17-7-3-5-9-21(17)27)11-19(25)23(29)26-20(24(30)31)12-16-14-28(2)22-10-6-4-8-18(16)22;/h3-10,13-14,19-20H,11-12,25H2,1-2H3,(H,26,29)(H,30,31);1H/t19-,20-;/m1./s1.
What are the key properties of (2R)-2-[[(2R)-2-amino-3-(1-methylindol-3-yl)propanoyl]amino]-3-(1-methylindol-3-yl)propanoic acid;hydrochloride?
(2R)-2-[[(2R)-2-amino-3-(1-methylindol-3-yl)propanoyl]amino]-3-(1-methylindol-3-yl)propanoic acid;hydrochloride has a molecular weight of 454.96 g/mol, XLogP of 2.77, 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-(1-methylindol-3-yl)propanoic acid;hydrochloride is sourced from PubChem (CID 126483105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).