(2R)-4-[(3-carboxy-3-methylbutanoyl)amino]-2-methyl-5-(4-phenylphenyl)pentanoic acid

C24H29NO5 — CID 126724250

IUPAC(2R)-4-[(3-carboxy-3-methylbutanoyl)amino]-2-methyl-5-(4-phenylphenyl)pentanoic acid
SMILESC[C@H](CC(Cc1ccc(-c2ccccc2)cc1)NC(=O)CC(C)(C)C(=O)O)C(=O)O
InChIInChI=1S/C24H29NO5/c1-16(22(27)28)13-20(25-21(26)15-24(2,3)23(29)30)14-17-9-11-19(12-10-17)18-7-5-4-6-8-18/h4-12,16,20H,13-15H2,1-3H3,(H,25,26)(H,27,28)(H,29,30)/t16-,20?/m1/s1
InChIKeyYCZFGFJXTINBHZ-QRIPLOBPSA-N
MW411.50 g/mol
LogP3.99
Rot. Bonds10

About (2R)-4-[(3-carboxy-3-methylbutanoyl)amino]-2-methyl-5-(4-phenylphenyl)pentanoic acid

(2R)-4-[(3-carboxy-3-methylbutanoyl)amino]-2-methyl-5-(4-phenylphenyl)pentanoic acid (PubChem CID 126724250) has the molecular formula C24H29NO5 and a molecular weight of 411.50 g/mol. Its IUPAC name is (2R)-4-[(3-carboxy-3-methylbutanoyl)amino]-2-methyl-5-(4-phenylphenyl)pentanoic acid.

Molecular Properties

Compound Name(2R)-4-[(3-carboxy-3-methylbutanoyl)amino]-2-methyl-5-(4-phenylphenyl)pentanoic acid
PubChem CID126724250
Molecular FormulaC24H29NO5
Molecular Weight411.50 g/mol
Exact Mass411.20
IUPAC Name(2R)-4-[(3-carboxy-3-methylbutanoyl)amino]-2-methyl-5-(4-phenylphenyl)pentanoic acid
SMILESC[C@H](CC(Cc1ccc(-c2ccccc2)cc1)NC(=O)CC(C)(C)C(=O)O)C(=O)O
InChIInChI=1S/C24H29NO5/c1-16(22(27)28)13-20(25-21(26)15-24(2,3)23(29)30)14-17-9-11-19(12-10-17)18-7-5-4-6-8-18/h4-12,16,20H,13-15H2,1-3H3,(H,25,26)(H,27,28)(H,29,30)/t16-,20?/m1/s1
InChIKeyYCZFGFJXTINBHZ-QRIPLOBPSA-N
XLogP3.99
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 53.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-4-(3-carboxypropanoylamino)-2-methyl-5-(4-phenylphenyl)pentanoic acid
CID 59318462
(4S)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(4-phenylphenyl)pentanoic acid
CID 58027482
4-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-2,2-dimethyl-4-oxobutanoic acid
CID 107862064
5-[[(2S,4R)-4-carboxy-1-(4-phenylphenyl)pentan-2-yl]carbamoyl]thiophene-2-carboxylic acid
CID 59608190
methyl 2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(4-phenylphenyl)pentanoate;2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(4-phenylphenyl)pentanoic acid
CID 160586988
methyl (2R)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(4-phenylphenyl)pentanoate;(2R)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(4-phenylphenyl)pentanoic acid
CID 160586987
(2R,4S)-2-methyl-5-(4-phenylphenyl)-4-[[2-(2H-tetrazol-5-yl)acetyl]amino]pentanoic acid
CID 59608320
(2R,4S)-4-[[4-[(1-ethoxy-4-methyl-1-oxopentan-2-yl)amino]-4-oxobutanoyl]amino]-2-methyl-5-(4-phenylphenyl)pentanoic acid
CID 139368417
(2R,4S)-4-[[(Z)-4-amino-2-oxobut-3-enoyl]amino]-2-methyl-5-(4-phenylphenyl)pentanoic acid
CID 59608135
(2R)-2-methyl-5-(4-phenylphenyl)-4-(pyrimidine-5-carbonylamino)pentanoic acid
CID 126724309
(2R,4S)-4-[(4-amino-2-oxobut-3-enoyl)amino]-2-methyl-5-(4-phenylphenyl)pentanoic acid
CID 154430433
(2R)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoic acid
CID 118431287

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[(3-carboxy-3-methylbutanoyl)amino]-2-methyl-5-(4-phenylphenyl)pentanoic acid?
The IUPAC name of (2R)-4-[(3-carboxy-3-methylbutanoyl)amino]-2-methyl-5-(4-phenylphenyl)pentanoic acid (CID 126724250) is (2R)-4-[(3-carboxy-3-methylbutanoyl)amino]-2-methyl-5-(4-phenylphenyl)pentanoic acid.
What is the SMILES notation for (2R)-4-[(3-carboxy-3-methylbutanoyl)amino]-2-methyl-5-(4-phenylphenyl)pentanoic acid?
The canonical SMILES for (2R)-4-[(3-carboxy-3-methylbutanoyl)amino]-2-methyl-5-(4-phenylphenyl)pentanoic acid is C[C@H](CC(Cc1ccc(-c2ccccc2)cc1)NC(=O)CC(C)(C)C(=O)O)C(=O)O.
What is the InChIKey of (2R)-4-[(3-carboxy-3-methylbutanoyl)amino]-2-methyl-5-(4-phenylphenyl)pentanoic acid?
The InChIKey is YCZFGFJXTINBHZ-QRIPLOBPSA-N. The full InChI is InChI=1S/C24H29NO5/c1-16(22(27)28)13-20(25-21(26)15-24(2,3)23(29)30)14-17-9-11-19(12-10-17)18-7-5-4-6-8-18/h4-12,16,20H,13-15H2,1-3H3,(H,25,26)(H,27,28)(H,29,30)/t16-,20?/m1/s1.
What are the key properties of (2R)-4-[(3-carboxy-3-methylbutanoyl)amino]-2-methyl-5-(4-phenylphenyl)pentanoic acid?
(2R)-4-[(3-carboxy-3-methylbutanoyl)amino]-2-methyl-5-(4-phenylphenyl)pentanoic acid has a molecular weight of 411.50 g/mol, XLogP of 3.99, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[(3-carboxy-3-methylbutanoyl)amino]-2-methyl-5-(4-phenylphenyl)pentanoic acid is sourced from PubChem (CID 126724250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).