(2S)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)butanoylamino]-2-phenylacetic acid

C15H17N3O4 — CID 119372360

IUPAC(2S)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)butanoylamino]-2-phenylacetic acid
SMILESCc1noc(CCCC(=O)N[C@H](C(=O)O)c2ccccc2)n1
InChIInChI=1S/C15H17N3O4/c1-10-16-13(22-18-10)9-5-8-12(19)17-14(15(20)21)11-6-3-2-4-7-11/h2-4,6-7,14H,5,8-9H2,1H3,(H,17,19)(H,20,21)/t14-/m0/s1
InChIKeySQDKTEYWJNPTPV-AWEZNQCLSA-N
MW303.32 g/mol
LogP1.64
Rot. Bonds7

About (2S)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)butanoylamino]-2-phenylacetic acid

(2S)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)butanoylamino]-2-phenylacetic acid (PubChem CID 119372360) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is (2S)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)butanoylamino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2S)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)butanoylamino]-2-phenylacetic acid
PubChem CID119372360
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Name(2S)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)butanoylamino]-2-phenylacetic acid
SMILESCc1noc(CCCC(=O)N[C@H](C(=O)O)c2ccccc2)n1
InChIInChI=1S/C15H17N3O4/c1-10-16-13(22-18-10)9-5-8-12(19)17-14(15(20)21)11-6-3-2-4-7-11/h2-4,6-7,14H,5,8-9H2,1H3,(H,17,19)(H,20,21)/t14-/m0/s1
InChIKeySQDKTEYWJNPTPV-AWEZNQCLSA-N
XLogP1.64
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)butanoylamino]-3-phenylpropanoic acid
CID 119165693
N-(3-hydroxy-3-phenylpropyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
CID 111471932
methyl (2R)-2-phenyl-2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]acetate
CID 95275306
3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-methyl-1-phenylpropyl)propanamide
CID 86917615
(2S,3S)-3-methyl-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)butanoylamino]pentanoic acid
CID 119193842
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1-thiophen-2-ylethyl)butanamide
CID 47209092
3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]-2-phenylpropanoic acid
CID 119254469
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-pyridin-2-ylbutanamide
CID 47208997
N-[1-(4-tert-butylphenyl)-2-methylpropyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
CID 55712807
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[4-methyl-1-(1-phenylethyl)pyrazol-3-yl]butanamide
CID 119045772
(2S)-2-(hexanoylamino)-2-phenylacetic acid
CID 28880777
(2R)-2-[[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]-2-phenylacetic acid
CID 119367976

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)butanoylamino]-2-phenylacetic acid?
The IUPAC name of (2S)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)butanoylamino]-2-phenylacetic acid (CID 119372360) is (2S)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)butanoylamino]-2-phenylacetic acid.
What is the SMILES notation for (2S)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)butanoylamino]-2-phenylacetic acid?
The canonical SMILES for (2S)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)butanoylamino]-2-phenylacetic acid is Cc1noc(CCCC(=O)N[C@H](C(=O)O)c2ccccc2)n1.
What is the InChIKey of (2S)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)butanoylamino]-2-phenylacetic acid?
The InChIKey is SQDKTEYWJNPTPV-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-10-16-13(22-18-10)9-5-8-12(19)17-14(15(20)21)11-6-3-2-4-7-11/h2-4,6-7,14H,5,8-9H2,1H3,(H,17,19)(H,20,21)/t14-/m0/s1.
What are the key properties of (2S)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)butanoylamino]-2-phenylacetic acid?
(2S)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)butanoylamino]-2-phenylacetic acid has a molecular weight of 303.32 g/mol, XLogP of 1.64, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)butanoylamino]-2-phenylacetic acid is sourced from PubChem (CID 119372360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).