(3R)-3-[[2-butyl-1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]imidazole-4-carbonyl]amino]-4-phenylbutanoic acid

C26H29N7O3 — CID 67390180

IUPAC(3R)-3-[[2-butyl-1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]imidazole-4-carbonyl]amino]-4-phenylbutanoic acid
SMILESCCCCc1nc(C(=O)N[C@@H](CC(=O)O)Cc2ccccc2)cn1Cc1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C26H29N7O3/c1-2-3-9-23-28-22(26(36)27-21(15-24(34)35)14-18-7-5-4-6-8-18)17-33(23)16-19-10-12-20(13-11-19)25-29-31-32-30-25/h4-8,10-13,17,21H,2-3,9,14-16H2,1H3,(H,27,36)(H,34,35)(H,29,30,31,32)/t21-/m1/s1
InChIKeyAPLDCZIAGYZPTM-OAQYLSRUSA-N
MW487.56 g/mol
LogP3.27
Rot. Bonds12

About (3R)-3-[[2-butyl-1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]imidazole-4-carbonyl]amino]-4-phenylbutanoic acid

(3R)-3-[[2-butyl-1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]imidazole-4-carbonyl]amino]-4-phenylbutanoic acid (PubChem CID 67390180) has the molecular formula C26H29N7O3 and a molecular weight of 487.56 g/mol. Its IUPAC name is (3R)-3-[[2-butyl-1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]imidazole-4-carbonyl]amino]-4-phenylbutanoic acid.

Molecular Properties

Compound Name(3R)-3-[[2-butyl-1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]imidazole-4-carbonyl]amino]-4-phenylbutanoic acid
PubChem CID67390180
Molecular FormulaC26H29N7O3
Molecular Weight487.56 g/mol
Exact Mass487.23
IUPAC Name(3R)-3-[[2-butyl-1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]imidazole-4-carbonyl]amino]-4-phenylbutanoic acid
SMILESCCCCc1nc(C(=O)N[C@@H](CC(=O)O)Cc2ccccc2)cn1Cc1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C26H29N7O3/c1-2-3-9-23-28-22(26(36)27-21(15-24(34)35)14-18-7-5-4-6-8-18)17-33(23)16-19-10-12-20(13-11-19)25-29-31-32-30-25/h4-8,10-13,17,21H,2-3,9,14-16H2,1H3,(H,27,36)(H,34,35)(H,29,30,31,32)/t21-/m1/s1
InChIKeyAPLDCZIAGYZPTM-OAQYLSRUSA-N
XLogP3.27
TPSA138.68 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.56
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (3R)-3-[[2-butyl-1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]imidazole-4-carbonyl]amino]-4-phenylbutanoic acid with MolForge

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Launch Full Analysis

Related Compounds

2-butyl-N-[(2R)-1-phenyl-3-sulfanylpropan-2-yl]-3-[[4-(2H-tetrazol-5-yl)phenyl]methyl]imidazole-4-carboxamide
CID 87219089
2-benzyl-N-[[2-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methyl]-3-sulfanylpropanamide
CID 87382305
4-phenyl-3-[[4-propyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1H-imidazole-2-carbonyl]amino]butanoic acid
CID 67390859
2-[2-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]furan-3-carboxylic acid
CID 23363057
4-(2-bromophenyl)-3-[[5-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-3-carbonyl]amino]butanoic acid
CID 66870435
2-[[2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carbonyl]amino]butanedioic acid
CID 68642037
methyl 2-[2-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]thiophene-3-carboxylate
CID 23363063
3-[5-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-yl]propanoic acid
CID 10477858
3-[[2-butyl-3-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carbonyl]amino]-4-phenylbutanoic acid
CID 67390838
2-butyl-N-[(2R)-4-(hydroxyamino)-4-oxo-1-[2-(trifluoromethyl)phenyl]butan-2-yl]-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxamide
CID 87219071
2-butyl-1-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid
CID 58088897
potassium 2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid
CID 19742967

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[2-butyl-1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]imidazole-4-carbonyl]amino]-4-phenylbutanoic acid?
The IUPAC name of (3R)-3-[[2-butyl-1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]imidazole-4-carbonyl]amino]-4-phenylbutanoic acid (CID 67390180) is (3R)-3-[[2-butyl-1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]imidazole-4-carbonyl]amino]-4-phenylbutanoic acid.
What is the SMILES notation for (3R)-3-[[2-butyl-1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]imidazole-4-carbonyl]amino]-4-phenylbutanoic acid?
The canonical SMILES for (3R)-3-[[2-butyl-1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]imidazole-4-carbonyl]amino]-4-phenylbutanoic acid is CCCCc1nc(C(=O)N[C@@H](CC(=O)O)Cc2ccccc2)cn1Cc1ccc(-c2nn[nH]n2)cc1.
What is the InChIKey of (3R)-3-[[2-butyl-1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]imidazole-4-carbonyl]amino]-4-phenylbutanoic acid?
The InChIKey is APLDCZIAGYZPTM-OAQYLSRUSA-N. The full InChI is InChI=1S/C26H29N7O3/c1-2-3-9-23-28-22(26(36)27-21(15-24(34)35)14-18-7-5-4-6-8-18)17-33(23)16-19-10-12-20(13-11-19)25-29-31-32-30-25/h4-8,10-13,17,21H,2-3,9,14-16H2,1H3,(H,27,36)(H,34,35)(H,29,30,31,32)/t21-/m1/s1.
What are the key properties of (3R)-3-[[2-butyl-1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]imidazole-4-carbonyl]amino]-4-phenylbutanoic acid?
(3R)-3-[[2-butyl-1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]imidazole-4-carbonyl]amino]-4-phenylbutanoic acid has a molecular weight of 487.56 g/mol, XLogP of 3.27, 12 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[2-butyl-1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]imidazole-4-carbonyl]amino]-4-phenylbutanoic acid is sourced from PubChem (CID 67390180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).