(2R)-2-[[2-[(4-methoxybenzoyl)amino]-2-phenylacetyl]amino]-4-methylpentanoic acid

C22H26N2O5 — CID 119364694

IUPAC(2R)-2-[[2-[(4-methoxybenzoyl)amino]-2-phenylacetyl]amino]-4-methylpentanoic acid
SMILESCOc1ccc(C(=O)NC(C(=O)N[C@H](CC(C)C)C(=O)O)c2ccccc2)cc1
InChIInChI=1S/C22H26N2O5/c1-14(2)13-18(22(27)28)23-21(26)19(15-7-5-4-6-8-15)24-20(25)16-9-11-17(29-3)12-10-16/h4-12,14,18-19H,13H2,1-3H3,(H,23,26)(H,24,25)(H,27,28)/t18-,19?/m1/s1
InChIKeyIGINDUVLODGSEB-MRTLOADZSA-N
MW398.46 g/mol
LogP2.78
Rot. Bonds9

About (2R)-2-[[2-[(4-methoxybenzoyl)amino]-2-phenylacetyl]amino]-4-methylpentanoic acid

(2R)-2-[[2-[(4-methoxybenzoyl)amino]-2-phenylacetyl]amino]-4-methylpentanoic acid (PubChem CID 119364694) has the molecular formula C22H26N2O5 and a molecular weight of 398.46 g/mol. Its IUPAC name is (2R)-2-[[2-[(4-methoxybenzoyl)amino]-2-phenylacetyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-[(4-methoxybenzoyl)amino]-2-phenylacetyl]amino]-4-methylpentanoic acid
PubChem CID119364694
Molecular FormulaC22H26N2O5
Molecular Weight398.46 g/mol
Exact Mass398.18
IUPAC Name(2R)-2-[[2-[(4-methoxybenzoyl)amino]-2-phenylacetyl]amino]-4-methylpentanoic acid
SMILESCOc1ccc(C(=O)NC(C(=O)N[C@H](CC(C)C)C(=O)O)c2ccccc2)cc1
InChIInChI=1S/C22H26N2O5/c1-14(2)13-18(22(27)28)23-21(26)19(15-7-5-4-6-8-15)24-20(25)16-9-11-17(29-3)12-10-16/h4-12,14,18-19H,13H2,1-3H3,(H,23,26)(H,24,25)(H,27,28)/t18-,19?/m1/s1
InChIKeyIGINDUVLODGSEB-MRTLOADZSA-N
XLogP2.78
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[[2-[(4-methoxybenzoyl)amino]-2-phenylacetyl]amino]-4-methylpentanoic acid with MolForge

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Related Compounds

(2R)-2-[(4-methoxybenzoyl)amino]-2-phenylacetate
CID 6948068
N-(2-amino-2-oxo-1-phenylethyl)-4-methoxybenzamide
CID 51315270
2-(4-methoxyphenyl)-2-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]acetic acid
CID 120530324
methyl 2-[(4-methoxybenzoyl)amino]-4-methylpentanoate
CID 3376404
4-methyl-2-[(4-phenylbenzoyl)amino]pentanoic acid
CID 17380410
4-[[2-[(4-methoxybenzoyl)amino]-2-phenylacetyl]amino]butanoic acid
CID 119170708
N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide
CID 38002269
N-[2-[[(E)-but-2-enyl]amino]-2-oxo-1-phenylethyl]-4-methoxybenzamide
CID 167917675
(2S)-2-[[(2R)-2-amino-6-[(4-methoxybenzoyl)amino]hexanoyl]amino]-4-methylpentanoic acid
CID 11741296
(2S)-4-methyl-2-(2-phenylpropanoylamino)pentanoic acid
CID 114028706
(2S)-2-[(4-methoxybenzoyl)amino]-3-phenylpropanoic acid
CID 919358
N-[(2S)-1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]-4-methoxybenzamide
CID 110351238

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-[(4-methoxybenzoyl)amino]-2-phenylacetyl]amino]-4-methylpentanoic acid?
The IUPAC name of (2R)-2-[[2-[(4-methoxybenzoyl)amino]-2-phenylacetyl]amino]-4-methylpentanoic acid (CID 119364694) is (2R)-2-[[2-[(4-methoxybenzoyl)amino]-2-phenylacetyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-[[2-[(4-methoxybenzoyl)amino]-2-phenylacetyl]amino]-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-[[2-[(4-methoxybenzoyl)amino]-2-phenylacetyl]amino]-4-methylpentanoic acid is COc1ccc(C(=O)NC(C(=O)N[C@H](CC(C)C)C(=O)O)c2ccccc2)cc1.
What is the InChIKey of (2R)-2-[[2-[(4-methoxybenzoyl)amino]-2-phenylacetyl]amino]-4-methylpentanoic acid?
The InChIKey is IGINDUVLODGSEB-MRTLOADZSA-N. The full InChI is InChI=1S/C22H26N2O5/c1-14(2)13-18(22(27)28)23-21(26)19(15-7-5-4-6-8-15)24-20(25)16-9-11-17(29-3)12-10-16/h4-12,14,18-19H,13H2,1-3H3,(H,23,26)(H,24,25)(H,27,28)/t18-,19?/m1/s1.
What are the key properties of (2R)-2-[[2-[(4-methoxybenzoyl)amino]-2-phenylacetyl]amino]-4-methylpentanoic acid?
(2R)-2-[[2-[(4-methoxybenzoyl)amino]-2-phenylacetyl]amino]-4-methylpentanoic acid has a molecular weight of 398.46 g/mol, XLogP of 2.78, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-[(4-methoxybenzoyl)amino]-2-phenylacetyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 119364694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).