(3S)-3-[[methyl-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]carbamoyl]amino]butanoic acid

C13H21N3O4 — CID 126443920

IUPAC(3S)-3-[[methyl-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]carbamoyl]amino]butanoic acid
SMILESCC(C)c1cc(CN(C)C(=O)N[C@@H](C)CC(=O)O)no1
InChIInChI=1S/C13H21N3O4/c1-8(2)11-6-10(15-20-11)7-16(4)13(19)14-9(3)5-12(17)18/h6,8-9H,5,7H2,1-4H3,(H,14,19)(H,17,18)/t9-/m0/s1
InChIKeyFNXLGYBYUVSQIE-VIFPVBQESA-N
MW283.33 g/mol
LogP1.80
Rot. Bonds6

About (3S)-3-[[methyl-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]carbamoyl]amino]butanoic acid

(3S)-3-[[methyl-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]carbamoyl]amino]butanoic acid (PubChem CID 126443920) has the molecular formula C13H21N3O4 and a molecular weight of 283.33 g/mol. Its IUPAC name is (3S)-3-[[methyl-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]carbamoyl]amino]butanoic acid.

Molecular Properties

Compound Name(3S)-3-[[methyl-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]carbamoyl]amino]butanoic acid
PubChem CID126443920
Molecular FormulaC13H21N3O4
Molecular Weight283.33 g/mol
Exact Mass283.15
IUPAC Name(3S)-3-[[methyl-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]carbamoyl]amino]butanoic acid
SMILESCC(C)c1cc(CN(C)C(=O)N[C@@H](C)CC(=O)O)no1
InChIInChI=1S/C13H21N3O4/c1-8(2)11-6-10(15-20-11)7-16(4)13(19)14-9(3)5-12(17)18/h6,8-9H,5,7H2,1-4H3,(H,14,19)(H,17,18)/t9-/m0/s1
InChIKeyFNXLGYBYUVSQIE-VIFPVBQESA-N
XLogP1.80
TPSA95.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3S)-3-[[methyl-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]carbamoyl]amino]butanoic acid with MolForge

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Related Compounds

N,N-dimethyl-1-(5-propan-2-yl-1,2-oxazol-3-yl)methanamine
CID 126550901
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CID 74241430
3-[(5-propan-2-yl-1,2-oxazol-3-yl)methylsulfonyl]propanoic acid
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3-(1-cyclopentyl-4-methylpyrazol-5-yl)-1-methyl-1-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]urea
CID 74238195
N,4-dimethyl-2-propan-2-yl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-1,3-thiazole-5-carboxamide
CID 50972753
3-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]butanoic acid
CID 61197737
3-(5-propan-2-yl-1,2-oxazol-3-yl)butanoic acid
CID 83831331
3-[2-(cyclohex-3-en-1-ylmethyl)pyrazol-3-yl]-1-methyl-1-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]urea
CID 118780229
N-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 91835204
3-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid
CID 61206244
N-methyl-3-[(2R)-1-methylpiperidin-2-yl]-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]propanamide
CID 97189300
1-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-1-methyl-3-propan-2-ylurea
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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[methyl-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]carbamoyl]amino]butanoic acid?
The IUPAC name of (3S)-3-[[methyl-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]carbamoyl]amino]butanoic acid (CID 126443920) is (3S)-3-[[methyl-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]carbamoyl]amino]butanoic acid.
What is the SMILES notation for (3S)-3-[[methyl-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]carbamoyl]amino]butanoic acid?
The canonical SMILES for (3S)-3-[[methyl-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]carbamoyl]amino]butanoic acid is CC(C)c1cc(CN(C)C(=O)N[C@@H](C)CC(=O)O)no1.
What is the InChIKey of (3S)-3-[[methyl-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]carbamoyl]amino]butanoic acid?
The InChIKey is FNXLGYBYUVSQIE-VIFPVBQESA-N. The full InChI is InChI=1S/C13H21N3O4/c1-8(2)11-6-10(15-20-11)7-16(4)13(19)14-9(3)5-12(17)18/h6,8-9H,5,7H2,1-4H3,(H,14,19)(H,17,18)/t9-/m0/s1.
What are the key properties of (3S)-3-[[methyl-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]carbamoyl]amino]butanoic acid?
(3S)-3-[[methyl-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]carbamoyl]amino]butanoic acid has a molecular weight of 283.33 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[[methyl-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]carbamoyl]amino]butanoic acid is sourced from PubChem (CID 126443920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).