(2R)-2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]butanoic acid

C10H15N3O4 — CID 106374415

IUPAC(2R)-2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]butanoic acid
SMILESCC[C@@H](NC(=O)NCc1ncc(C)o1)C(=O)O
InChIInChI=1S/C10H15N3O4/c1-3-7(9(14)15)13-10(16)12-5-8-11-4-6(2)17-8/h4,7H,3,5H2,1-2H3,(H,14,15)(H2,12,13,16)/t7-/m1/s1
InChIKeyNINBMDSVTXSPDR-SSDOTTSWSA-N
MW241.25 g/mol
LogP0.65
Rot. Bonds5

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

(2R)-2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]butanoic acid (PubChem CID 106374415) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is (2R)-2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]butanoic acid.

Molecular Properties

Compound Name(2R)-2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]butanoic acid
PubChem CID106374415
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Name(2R)-2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]butanoic acid
SMILESCC[C@@H](NC(=O)NCc1ncc(C)o1)C(=O)O
InChIInChI=1S/C10H15N3O4/c1-3-7(9(14)15)13-10(16)12-5-8-11-4-6(2)17-8/h4,7H,3,5H2,1-2H3,(H,14,15)(H2,12,13,16)/t7-/m1/s1
InChIKeyNINBMDSVTXSPDR-SSDOTTSWSA-N
XLogP0.65
TPSA104.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]pentanoic acid
CID 106374706
(2S)-2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]pentanedioic acid
CID 106374550
2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoylamino]butanoic acid
CID 106374246
(2R)-2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]hexanedioic acid
CID 106374611
1-ethyl-3-[(5-methyl-1,3-oxazol-2-yl)methyl]urea
CID 103738715
2-methyl-3-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]propanoic acid
CID 106374475
3-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]hexanoic acid
CID 106374501
2-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]butanoic acid
CID 54962423
2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]acetic acid
CID 106374600
(2R)-2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoylamino]-4-methylpentanoic acid
CID 106374056
2-[(5-methyl-1,3-oxazol-2-yl)methylamino]butanamide
CID 106371987
2-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butanamide
CID 103797047

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]butanoic acid?
The IUPAC name of (2R)-2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]butanoic acid (CID 106374415) is (2R)-2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]butanoic acid.
What is the SMILES notation for (2R)-2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]butanoic acid?
The canonical SMILES for (2R)-2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]butanoic acid is CC[C@@H](NC(=O)NCc1ncc(C)o1)C(=O)O.
What is the InChIKey of (2R)-2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]butanoic acid?
The InChIKey is NINBMDSVTXSPDR-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H15N3O4/c1-3-7(9(14)15)13-10(16)12-5-8-11-4-6(2)17-8/h4,7H,3,5H2,1-2H3,(H,14,15)(H2,12,13,16)/t7-/m1/s1.
What are the key properties of (2R)-2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]butanoic acid?
(2R)-2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]butanoic acid has a molecular weight of 241.25 g/mol, XLogP of 0.65, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]butanoic acid is sourced from PubChem (CID 106374415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).