3-[cyclopropyl-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]amino]propanoic acid

C12H17N3O4 — CID 106374477

IUPAC3-[cyclopropyl-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]amino]propanoic acid
SMILESCc1cnc(CNC(=O)N(CCC(=O)O)C2CC2)o1
InChIInChI=1S/C12H17N3O4/c1-8-6-13-10(19-8)7-14-12(18)15(9-2-3-9)5-4-11(16)17/h6,9H,2-5,7H2,1H3,(H,14,18)(H,16,17)
InChIKeyLRYWFLKYYGQKFP-UHFFFAOYSA-N
MW267.28 g/mol
LogP1.13
Rot. Bonds6

About 3-[cyclopropyl-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]amino]propanoic acid

3-[cyclopropyl-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]amino]propanoic acid (PubChem CID 106374477) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 3-[cyclopropyl-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]amino]propanoic acid
PubChem CID106374477
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name3-[cyclopropyl-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]amino]propanoic acid
SMILESCc1cnc(CNC(=O)N(CCC(=O)O)C2CC2)o1
InChIInChI=1S/C12H17N3O4/c1-8-6-13-10(19-8)7-14-12(18)15(9-2-3-9)5-4-11(16)17/h6,9H,2-5,7H2,1H3,(H,14,18)(H,16,17)
InChIKeyLRYWFLKYYGQKFP-UHFFFAOYSA-N
XLogP1.13
TPSA95.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[carboxymethyl-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]amino]acetic acid
CID 114180679
3-[cyclopropyl-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoyl]amino]propanoic acid
CID 79241978
2-[ethyl-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]amino]-2-methylpropanoic acid
CID 106374605
2-[(5-methyl-1,3-oxazol-2-yl)methylamino]acetic acid
CID 106372016
2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]acetic acid
CID 106374600
1-cyclohexyl-3-[(5-methyl-1,3-oxazol-2-yl)methyl]urea
CID 110660494
3-[cyclopropyl(2,2-dimethylpropylcarbamoyl)amino]propanoic acid
CID 61209232
(2S)-2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]pentanedioic acid
CID 106374550
3-(methylamino)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propanamide
CID 106371442
1-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]cyclopropane-1-carboxylic acid
CID 106374467
1-ethyl-3-[(5-methyl-1,3-oxazol-2-yl)methyl]urea
CID 103738715
2-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide
CID 83622965

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]amino]propanoic acid (CID 106374477) is 3-[cyclopropyl-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]amino]propanoic acid is Cc1cnc(CNC(=O)N(CCC(=O)O)C2CC2)o1.
What is the InChIKey of 3-[cyclopropyl-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]amino]propanoic acid?
The InChIKey is LRYWFLKYYGQKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-8-6-13-10(19-8)7-14-12(18)15(9-2-3-9)5-4-11(16)17/h6,9H,2-5,7H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 3-[cyclopropyl-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]amino]propanoic acid?
3-[cyclopropyl-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]amino]propanoic acid has a molecular weight of 267.28 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]amino]propanoic acid is sourced from PubChem (CID 106374477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).