(2R)-2-[[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]-2-phenylacetic acid

C16H22N2O4 — CID 119367976

IUPAC(2R)-2-[[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]-2-phenylacetic acid
SMILESCC(C)NC(=O)CCCC(=O)N[C@@H](C(=O)O)c1ccccc1
InChIInChI=1S/C16H22N2O4/c1-11(2)17-13(19)9-6-10-14(20)18-15(16(21)22)12-7-4-3-5-8-12/h3-5,7-8,11,15H,6,9-10H2,1-2H3,(H,17,19)(H,18,20)(H,21,22)/t15-/m1/s1
InChIKeyNPFRONINQWZLEP-OAHLLOKOSA-N
MW306.36 g/mol
LogP1.62
Rot. Bonds8

About (2R)-2-[[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]-2-phenylacetic acid

(2R)-2-[[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]-2-phenylacetic acid (PubChem CID 119367976) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is (2R)-2-[[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2R)-2-[[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]-2-phenylacetic acid
PubChem CID119367976
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Name(2R)-2-[[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]-2-phenylacetic acid
SMILESCC(C)NC(=O)CCCC(=O)N[C@@H](C(=O)O)c1ccccc1
InChIInChI=1S/C16H22N2O4/c1-11(2)17-13(19)9-6-10-14(20)18-15(16(21)22)12-7-4-3-5-8-12/h3-5,7-8,11,15H,6,9-10H2,1-2H3,(H,17,19)(H,18,20)(H,21,22)/t15-/m1/s1
InChIKeyNPFRONINQWZLEP-OAHLLOKOSA-N
XLogP1.62
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(hexanoylamino)-2-phenylacetic acid
CID 28880777
(2S)-2-[(6,6-dimethyl-5-oxoheptanoyl)amino]-2-phenylacetic acid
CID 166385936
2-[4-(methylamino)butanoylamino]-2-phenylacetic acid
CID 61157870
2-(3-aminopropanoylamino)-2-phenylacetic acid
CID 61159354
ethane;2-phenyl-2-(propanoylamino)acetic acid
CID 169177605
(2S)-2-[(4-methoxy-4-oxobutanoyl)amino]-2-phenylacetic acid
CID 108808775
2-(3-methylsulfanylpropanoylamino)-2-phenylacetic acid
CID 43183450
(2S)-2-(3-methoxypropanoylamino)-2-phenylacetic acid
CID 93310108
4-[[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]-4-phenylbutanoic acid
CID 119201158
2-[(2-methoxyacetyl)amino]-2-phenylacetic acid
CID 16776085
2-phenyl-2-(4-prop-2-enoxybutanoylamino)acetic acid
CID 119197383
(2R)-2-phenyl-2-[(2-phenylacetyl)amino]acetic acid
CID 3049856

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]-2-phenylacetic acid?
The IUPAC name of (2R)-2-[[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]-2-phenylacetic acid (CID 119367976) is (2R)-2-[[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]-2-phenylacetic acid.
What is the SMILES notation for (2R)-2-[[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]-2-phenylacetic acid?
The canonical SMILES for (2R)-2-[[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]-2-phenylacetic acid is CC(C)NC(=O)CCCC(=O)N[C@@H](C(=O)O)c1ccccc1.
What is the InChIKey of (2R)-2-[[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]-2-phenylacetic acid?
The InChIKey is NPFRONINQWZLEP-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-11(2)17-13(19)9-6-10-14(20)18-15(16(21)22)12-7-4-3-5-8-12/h3-5,7-8,11,15H,6,9-10H2,1-2H3,(H,17,19)(H,18,20)(H,21,22)/t15-/m1/s1.
What are the key properties of (2R)-2-[[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]-2-phenylacetic acid?
(2R)-2-[[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]-2-phenylacetic acid has a molecular weight of 306.36 g/mol, XLogP of 1.62, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]-2-phenylacetic acid is sourced from PubChem (CID 119367976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).