(2S)-4-methyl-2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]pentanoic acid

C14H17N3O3 — CID 122050104

IUPAC(2S)-4-methyl-2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]pentanoic acid
SMILESCC(C)C[C@H](Nc1noc(-c2ccccc2)n1)C(=O)O
InChIInChI=1S/C14H17N3O3/c1-9(2)8-11(13(18)19)15-14-16-12(20-17-14)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H,15,17)(H,18,19)/t11-/m0/s1
InChIKeyBMDBMFZZGMJPEV-NSHDSACASA-N
MW275.31 g/mol
LogP2.65
Rot. Bonds6

About (2S)-4-methyl-2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]pentanoic acid

(2S)-4-methyl-2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]pentanoic acid (PubChem CID 122050104) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is (2S)-4-methyl-2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-4-methyl-2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]pentanoic acid
PubChem CID122050104
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name(2S)-4-methyl-2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]pentanoic acid
SMILESCC(C)C[C@H](Nc1noc(-c2ccccc2)n1)C(=O)O
InChIInChI=1S/C14H17N3O3/c1-9(2)8-11(13(18)19)15-14-16-12(20-17-14)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H,15,17)(H,18,19)/t11-/m0/s1
InChIKeyBMDBMFZZGMJPEV-NSHDSACASA-N
XLogP2.65
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-4-methyl-2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]pentanoic acid with MolForge

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Related Compounds

2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]hexanoic acid
CID 122060414
4-methyl-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]pentan-2-ol
CID 133482561
N-(5-phenyl-1,2,4-oxadiazol-3-yl)benzamide
CID 15643333
4-methyl-5-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]pentan-2-ol
CID 133483445
(2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]propan-1-one
CID 171631725
4-methyl-2-[(3-phenyl-1,2-oxazole-5-carbonyl)amino]pentanoic acid
CID 119188577
(2R)-4-methyl-2-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]amino]pentanoic acid
CID 119364440
(2R)-4-methyl-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]pentanoic acid
CID 122049091
(2S)-2-[[5-(3-methoxyphenyl)-1,2,4-oxadiazole-3-carbonyl]amino]-4-methylpentanoic acid
CID 119361846
(2S)-2-[[(1S)-1-carboxy-2-(5-phenyl-1,2-oxazol-3-yl)ethyl]amino]-4-methylpentanoic acid
CID 58632916
(2S)-4-methyl-2-[(4-oxo-3H-quinazolin-2-yl)amino]pentanoic acid
CID 137098064
tert-butyl N-[2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]ethyl]carbamate
CID 133482508

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]pentanoic acid?
The IUPAC name of (2S)-4-methyl-2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]pentanoic acid (CID 122050104) is (2S)-4-methyl-2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]pentanoic acid.
What is the SMILES notation for (2S)-4-methyl-2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]pentanoic acid?
The canonical SMILES for (2S)-4-methyl-2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]pentanoic acid is CC(C)C[C@H](Nc1noc(-c2ccccc2)n1)C(=O)O.
What is the InChIKey of (2S)-4-methyl-2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]pentanoic acid?
The InChIKey is BMDBMFZZGMJPEV-NSHDSACASA-N. The full InChI is InChI=1S/C14H17N3O3/c1-9(2)8-11(13(18)19)15-14-16-12(20-17-14)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H,15,17)(H,18,19)/t11-/m0/s1.
What are the key properties of (2S)-4-methyl-2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]pentanoic acid?
(2S)-4-methyl-2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]pentanoic acid has a molecular weight of 275.31 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]pentanoic acid is sourced from PubChem (CID 122050104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).