2-[cyclopentyl(1,2-oxazol-5-ylmethylcarbamoyl)amino]acetic acid

C12H17N3O4 — CID 106421064

IUPAC2-[cyclopentyl(1,2-oxazol-5-ylmethylcarbamoyl)amino]acetic acid
SMILESO=C(O)CN(C(=O)NCc1ccno1)C1CCCC1
InChIInChI=1S/C12H17N3O4/c16-11(17)8-15(9-3-1-2-4-9)12(18)13-7-10-5-6-14-19-10/h5-6,9H,1-4,7-8H2,(H,13,18)(H,16,17)
InChIKeyBVJLUGAKZZEHDD-UHFFFAOYSA-N
MW267.28 g/mol
LogP1.21
Rot. Bonds5

About 2-[cyclopentyl(1,2-oxazol-5-ylmethylcarbamoyl)amino]acetic acid

2-[cyclopentyl(1,2-oxazol-5-ylmethylcarbamoyl)amino]acetic acid (PubChem CID 106421064) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-[cyclopentyl(1,2-oxazol-5-ylmethylcarbamoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopentyl(1,2-oxazol-5-ylmethylcarbamoyl)amino]acetic acid
PubChem CID106421064
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name2-[cyclopentyl(1,2-oxazol-5-ylmethylcarbamoyl)amino]acetic acid
SMILESO=C(O)CN(C(=O)NCc1ccno1)C1CCCC1
InChIInChI=1S/C12H17N3O4/c16-11(17)8-15(9-3-1-2-4-9)12(18)13-7-10-5-6-14-19-10/h5-6,9H,1-4,7-8H2,(H,13,18)(H,16,17)
InChIKeyBVJLUGAKZZEHDD-UHFFFAOYSA-N
XLogP1.21
TPSA95.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,2-oxazol-5-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 106414778
2-[cyclopentyl(1,2,4-oxadiazol-3-ylmethylcarbamoyl)amino]acetic acid
CID 114184369
2-[1,2-oxazol-5-ylmethylcarbamoyl(prop-2-ynyl)amino]acetic acid
CID 106421103
1-cyclohexyl-3-(1,2-oxazol-5-ylmethyl)urea
CID 106415590
2-[(2-bromophenyl)methylcarbamoyl-cyclopentylamino]acetic acid
CID 61414112
2-(1,2-oxazol-5-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 106421097
2-[cyclopropyl-[(5-ethylthiophen-2-yl)methylcarbamoyl]amino]acetic acid
CID 103996026
N-(1,2-oxazol-5-ylmethyl)acetamide
CID 103939766
2-[(4-chlorophenyl)methylcarbamoyl-cyclopropylamino]acetic acid
CID 54978380
2-[cyclopentyl-(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]acetic acid
CID 60826942
2-[cyclopropyl-[(3-ethyl-2-pyridinyl)methylcarbamoyl]amino]acetic acid
CID 82748868
2-(1,2-oxazol-5-ylmethylamino)acetic acid
CID 43466227

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(1,2-oxazol-5-ylmethylcarbamoyl)amino]acetic acid?
The IUPAC name of 2-[cyclopentyl(1,2-oxazol-5-ylmethylcarbamoyl)amino]acetic acid (CID 106421064) is 2-[cyclopentyl(1,2-oxazol-5-ylmethylcarbamoyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopentyl(1,2-oxazol-5-ylmethylcarbamoyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopentyl(1,2-oxazol-5-ylmethylcarbamoyl)amino]acetic acid is O=C(O)CN(C(=O)NCc1ccno1)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl(1,2-oxazol-5-ylmethylcarbamoyl)amino]acetic acid?
The InChIKey is BVJLUGAKZZEHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c16-11(17)8-15(9-3-1-2-4-9)12(18)13-7-10-5-6-14-19-10/h5-6,9H,1-4,7-8H2,(H,13,18)(H,16,17).
What are the key properties of 2-[cyclopentyl(1,2-oxazol-5-ylmethylcarbamoyl)amino]acetic acid?
2-[cyclopentyl(1,2-oxazol-5-ylmethylcarbamoyl)amino]acetic acid has a molecular weight of 267.28 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(1,2-oxazol-5-ylmethylcarbamoyl)amino]acetic acid is sourced from PubChem (CID 106421064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).