4-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoylamino]pentanoic acid

C12H19N3O4 — CID 82012849

IUPAC4-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoylamino]pentanoic acid
SMILESCc1cc(CNC(=O)NCC(C)CCC(=O)O)no1
InChIInChI=1S/C12H19N3O4/c1-8(3-4-11(16)17)6-13-12(18)14-7-10-5-9(2)19-15-10/h5,8H,3-4,6-7H2,1-2H3,(H,16,17)(H2,13,14,18)
InChIKeyDNQKAWIWNDTRCQ-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.28
Rot. Bonds7

About 4-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoylamino]pentanoic acid

4-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoylamino]pentanoic acid (PubChem CID 82012849) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is 4-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoylamino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoylamino]pentanoic acid
PubChem CID82012849
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name4-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoylamino]pentanoic acid
SMILESCc1cc(CNC(=O)NCC(C)CCC(=O)O)no1
InChIInChI=1S/C12H19N3O4/c1-8(3-4-11(16)17)6-13-12(18)14-7-10-5-9(2)19-15-10/h5,8H,3-4,6-7H2,1-2H3,(H,16,17)(H2,13,14,18)
InChIKeyDNQKAWIWNDTRCQ-UHFFFAOYSA-N
XLogP1.28
TPSA104.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoylamino]pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-propan-2-ylurea
CID 110747518
4-methyl-5-[(6-methyl-2-pyridinyl)methylcarbamoylamino]pentanoic acid
CID 82015095
2-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoylamino]butanoic acid
CID 113416559
5-(benzylcarbamoylamino)-4-methylpentanoic acid
CID 82689403
1-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
CID 47760357
(2R)-4-hydroxy-2-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoylamino]butanoic acid
CID 107827226
1-[(2R)-2-(3-fluorophenoxy)propyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
CID 96518547
1-[[(5-methyl-1,2-oxazol-3-yl)methylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 115436856
4-methyl-5-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]pentanoic acid
CID 82684064
1-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
CID 95189519
(Z)-2,3-dimethyl-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]-4-oxobut-2-enoic acid
CID 55168124
3-methyl-4-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoylamino]butanoic acid
CID 81069651

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoylamino]pentanoic acid?
The IUPAC name of 4-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoylamino]pentanoic acid (CID 82012849) is 4-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoylamino]pentanoic acid.
What is the SMILES notation for 4-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoylamino]pentanoic acid?
The canonical SMILES for 4-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoylamino]pentanoic acid is Cc1cc(CNC(=O)NCC(C)CCC(=O)O)no1.
What is the InChIKey of 4-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoylamino]pentanoic acid?
The InChIKey is DNQKAWIWNDTRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-8(3-4-11(16)17)6-13-12(18)14-7-10-5-9(2)19-15-10/h5,8H,3-4,6-7H2,1-2H3,(H,16,17)(H2,13,14,18).
What are the key properties of 4-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoylamino]pentanoic acid?
4-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoylamino]pentanoic acid has a molecular weight of 269.30 g/mol, XLogP of 1.28, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoylamino]pentanoic acid is sourced from PubChem (CID 82012849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).