(2R)-2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoylamino]-4-methylpentanoic acid

C13H21N3O4 — CID 106374056

IUPAC(2R)-2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoylamino]-4-methylpentanoic acid
SMILESCCc1cnc(CNC(=O)N[C@H](CC(C)C)C(=O)O)o1
InChIInChI=1S/C13H21N3O4/c1-4-9-6-14-11(20-9)7-15-13(19)16-10(12(17)18)5-8(2)3/h6,8,10H,4-5,7H2,1-3H3,(H,17,18)(H2,15,16,19)/t10-/m1/s1
InChIKeyMPCIKCBTJATDOR-SNVBAGLBSA-N
MW283.33 g/mol
LogP1.54
Rot. Bonds7

About (2R)-2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoylamino]-4-methylpentanoic acid

(2R)-2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoylamino]-4-methylpentanoic acid (PubChem CID 106374056) has the molecular formula C13H21N3O4 and a molecular weight of 283.33 g/mol. Its IUPAC name is (2R)-2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoylamino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoylamino]-4-methylpentanoic acid
PubChem CID106374056
Molecular FormulaC13H21N3O4
Molecular Weight283.33 g/mol
Exact Mass283.15
IUPAC Name(2R)-2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoylamino]-4-methylpentanoic acid
SMILESCCc1cnc(CNC(=O)N[C@H](CC(C)C)C(=O)O)o1
InChIInChI=1S/C13H21N3O4/c1-4-9-6-14-11(20-9)7-15-13(19)16-10(12(17)18)5-8(2)3/h6,8,10H,4-5,7H2,1-3H3,(H,17,18)(H2,15,16,19)/t10-/m1/s1
InChIKeyMPCIKCBTJATDOR-SNVBAGLBSA-N
XLogP1.54
TPSA104.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoylamino]butanoic acid
CID 106374246
(2S)-2-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]propanamide
CID 106371001
(2R)-2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]butanoic acid
CID 106374415
2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]pentanoic acid
CID 106374706
(2R)-4-methyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoylamino]pentanoic acid
CID 78977210
4-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methylbutanamide
CID 106370868
3-[ethyl-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoyl]amino]butanoic acid
CID 106373938
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-methyl-2-sulfanylbutanamide
CID 106377749
(2S)-2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]pentanedioic acid
CID 106374550
4-methyl-2-[(4-methyl-3-pyridinyl)methylcarbamoylamino]pentanoic acid
CID 114957104
2-amino-2-ethyl-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]butanamide
CID 106370796
1-(4-aminophenyl)-3-[(5-ethyl-1,3-oxazol-2-yl)methyl]urea
CID 106373291

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoylamino]-4-methylpentanoic acid?
The IUPAC name of (2R)-2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoylamino]-4-methylpentanoic acid (CID 106374056) is (2R)-2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoylamino]-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoylamino]-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoylamino]-4-methylpentanoic acid is CCc1cnc(CNC(=O)N[C@H](CC(C)C)C(=O)O)o1.
What is the InChIKey of (2R)-2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoylamino]-4-methylpentanoic acid?
The InChIKey is MPCIKCBTJATDOR-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H21N3O4/c1-4-9-6-14-11(20-9)7-15-13(19)16-10(12(17)18)5-8(2)3/h6,8,10H,4-5,7H2,1-3H3,(H,17,18)(H2,15,16,19)/t10-/m1/s1.
What are the key properties of (2R)-2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoylamino]-4-methylpentanoic acid?
(2R)-2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoylamino]-4-methylpentanoic acid has a molecular weight of 283.33 g/mol, XLogP of 1.54, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoylamino]-4-methylpentanoic acid is sourced from PubChem (CID 106374056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).