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

C11H17N3O4 — CID 108812104

IUPAC4-methyl-2-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]pentanoic acid
SMILESCc1cc(NC(=O)NC(CC(C)C)C(=O)O)no1
InChIInChI=1S/C11H17N3O4/c1-6(2)4-8(10(15)16)12-11(17)13-9-5-7(3)18-14-9/h5-6,8H,4H2,1-3H3,(H,15,16)(H2,12,13,14,17)
InChIKeyLWUIXDLLUXPQBL-UHFFFAOYSA-N
MW255.27 g/mol
LogP1.60
Rot. Bonds5

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

4-methyl-2-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]pentanoic acid (PubChem CID 108812104) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is 4-methyl-2-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]pentanoic acid
PubChem CID108812104
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name4-methyl-2-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]pentanoic acid
SMILESCc1cc(NC(=O)NC(CC(C)C)C(=O)O)no1
InChIInChI=1S/C11H17N3O4/c1-6(2)4-8(10(15)16)12-11(17)13-9-5-7(3)18-14-9/h5-6,8H,4H2,1-3H3,(H,15,16)(H2,12,13,14,17)
InChIKeyLWUIXDLLUXPQBL-UHFFFAOYSA-N
XLogP1.60
TPSA104.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-methyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]pentanoic acid
CID 61155868
3-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]butanamide
CID 131961427
(2S)-2-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]-3-phenylpropanamide
CID 95153740
4-methyl-2-[(2,4,6-trimethylphenyl)carbamoylamino]pentanoic acid
CID 61181835
1-(1-cyclopropylethyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 47125586
(2S)-2-[(2,6-dibromo-4-methylphenyl)carbamoylamino]-4-methylpentanoic acid
CID 61183786
(2S)-2-[(2,4-dimethylphenyl)carbamoylamino]-4-methylpentanoic acid
CID 945244
4-methyl-2-[(3,4,5-trifluorophenyl)carbamoylamino]pentanoic acid
CID 62812910
(2S)-4-methyl-2-[(2,4,6-tribromophenyl)carbamoylamino]pentanoic acid
CID 61184103
4-methyl-2-[[[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]amino]methyl]pentanoic acid
CID 119253439
(2R)-2-[(2,5-difluoro-4-methylphenyl)carbamoylamino]-4-methylpentanoic acid
CID 103586701
4-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]-4-oxobutanoic acid
CID 28746271

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]pentanoic acid?
The IUPAC name of 4-methyl-2-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]pentanoic acid (CID 108812104) is 4-methyl-2-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]pentanoic acid?
The canonical SMILES for 4-methyl-2-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]pentanoic acid is Cc1cc(NC(=O)NC(CC(C)C)C(=O)O)no1.
What is the InChIKey of 4-methyl-2-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]pentanoic acid?
The InChIKey is LWUIXDLLUXPQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-6(2)4-8(10(15)16)12-11(17)13-9-5-7(3)18-14-9/h5-6,8H,4H2,1-3H3,(H,15,16)(H2,12,13,14,17).
What are the key properties of 4-methyl-2-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]pentanoic acid?
4-methyl-2-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]pentanoic acid has a molecular weight of 255.27 g/mol, XLogP of 1.60, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]pentanoic acid is sourced from PubChem (CID 108812104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).