(2R)-2-[(2-aminoacetyl)amino]-N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-3-(1H-indol-3-yl)propanamide

C20H19ClN8O2 — CID 167833180

IUPAC(2R)-2-[(2-aminoacetyl)amino]-N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-3-(1H-indol-3-yl)propanamide
SMILESNCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cc(Cl)ccc1-c1nn[nH]n1
InChIInChI=1S/C20H19ClN8O2/c21-12-5-6-14(19-26-28-29-27-19)16(8-12)25-20(31)17(24-18(30)9-22)7-11-10-23-15-4-2-1-3-13(11)15/h1-6,8,10,17,23H,7,9,22H2,(H,24,30)(H,25,31)(H,26,27,28,29)/t17-/m1/s1
InChIKeyULSLNOJUAKEEER-QGZVFWFLSA-N
MW438.88 g/mol
LogP1.63
Rot. Bonds7

About (2R)-2-[(2-aminoacetyl)amino]-N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-3-(1H-indol-3-yl)propanamide

(2R)-2-[(2-aminoacetyl)amino]-N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-3-(1H-indol-3-yl)propanamide (PubChem CID 167833180) has the molecular formula C20H19ClN8O2 and a molecular weight of 438.88 g/mol. Its IUPAC name is (2R)-2-[(2-aminoacetyl)amino]-N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-[(2-aminoacetyl)amino]-N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-3-(1H-indol-3-yl)propanamide
PubChem CID167833180
Molecular FormulaC20H19ClN8O2
Molecular Weight438.88 g/mol
Exact Mass438.13
IUPAC Name(2R)-2-[(2-aminoacetyl)amino]-N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-3-(1H-indol-3-yl)propanamide
SMILESNCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cc(Cl)ccc1-c1nn[nH]n1
InChIInChI=1S/C20H19ClN8O2/c21-12-5-6-14(19-26-28-29-27-19)16(8-12)25-20(31)17(24-18(30)9-22)7-11-10-23-15-4-2-1-3-13(11)15/h1-6,8,10,17,23H,7,9,22H2,(H,24,30)(H,25,31)(H,26,27,28,29)/t17-/m1/s1
InChIKeyULSLNOJUAKEEER-QGZVFWFLSA-N
XLogP1.63
TPSA154.47 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.88
LogP ≤ 51.63
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-[(2-aminoacetyl)amino]-3-(1H-indol-3-yl)-N-naphthalen-2-ylpropanamide
CID 7022352
ethyl N-[(2R)-1-(5-chloro-2-methoxyanilino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
CID 126011247
2-[[2-[(2-aminoacetyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoic acid
CID 14308361
4-amino-2-[[2-[(2-aminoacetyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-oxobutanoic acid
CID 18221163
2-[[2-[[2-[5-chloro-2-(2H-tetrazol-5-yl)anilino]-2-oxoacetyl]amino]-3-phenylpropanoyl]amino]benzoic acid
CID 156748236
(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]butanedioic acid
CID 145455702
phenyl N-[(2S)-1-(5-chloro-2-methylanilino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
CID 126005197
2-amino-N-[(2R)-3-(1H-indol-3-yl)-1-oxo-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]propan-2-yl]-2-methylpropanamide
CID 67692673
2-[[2-[(2-aminoacetyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoic acid
CID 18221172
2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetic acid
CID 71443936
2-[[(2S)-2-[(2-aminoacetyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]-2-phenylacetic acid
CID 141285325
(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-4-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 25232584

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-aminoacetyl)amino]-N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-3-(1H-indol-3-yl)propanamide?
The IUPAC name of (2R)-2-[(2-aminoacetyl)amino]-N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-3-(1H-indol-3-yl)propanamide (CID 167833180) is (2R)-2-[(2-aminoacetyl)amino]-N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for (2R)-2-[(2-aminoacetyl)amino]-N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for (2R)-2-[(2-aminoacetyl)amino]-N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-3-(1H-indol-3-yl)propanamide is NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cc(Cl)ccc1-c1nn[nH]n1.
What is the InChIKey of (2R)-2-[(2-aminoacetyl)amino]-N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-3-(1H-indol-3-yl)propanamide?
The InChIKey is ULSLNOJUAKEEER-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H19ClN8O2/c21-12-5-6-14(19-26-28-29-27-19)16(8-12)25-20(31)17(24-18(30)9-22)7-11-10-23-15-4-2-1-3-13(11)15/h1-6,8,10,17,23H,7,9,22H2,(H,24,30)(H,25,31)(H,26,27,28,29)/t17-/m1/s1.
What are the key properties of (2R)-2-[(2-aminoacetyl)amino]-N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-3-(1H-indol-3-yl)propanamide?
(2R)-2-[(2-aminoacetyl)amino]-N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-3-(1H-indol-3-yl)propanamide has a molecular weight of 438.88 g/mol, XLogP of 1.63, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-aminoacetyl)amino]-N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 167833180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).