2-[1-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]cyclopentyl]acetic acid

C13H19N3O4 — CID 106374503

IUPAC2-[1-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]cyclopentyl]acetic acid
SMILESCc1cnc(CNC(=O)NC2(CC(=O)O)CCCC2)o1
InChIInChI=1S/C13H19N3O4/c1-9-7-14-10(20-9)8-15-12(19)16-13(6-11(17)18)4-2-3-5-13/h7H,2-6,8H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyRTVYBJRFIQFNLJ-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.57
Rot. Bonds5

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

2-[1-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]cyclopentyl]acetic acid (PubChem CID 106374503) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-[1-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]cyclopentyl]acetic acid
PubChem CID106374503
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name2-[1-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]cyclopentyl]acetic acid
SMILESCc1cnc(CNC(=O)NC2(CC(=O)O)CCCC2)o1
InChIInChI=1S/C13H19N3O4/c1-9-7-14-10(20-9)8-15-12(19)16-13(6-11(17)18)4-2-3-5-13/h7H,2-6,8H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyRTVYBJRFIQFNLJ-UHFFFAOYSA-N
XLogP1.57
TPSA104.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(5-Tert-butyl-1,3-oxazol-2-yl)methylamino]methyl]cyclopentane-1-carboxylic acid
CID 65897554
Cyclopentyl-(5-methyl-1,3-oxazol-2-yl)methanamine
CID 82408817
1-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]cyclopentane-1-carboxamide
CID 103797044
1-[[1-(5-Methyl-1,3-oxazol-2-yl)ethylamino]methyl]cyclopentan-1-ol
CID 104579726
3-[(5-Ethyl-1,3-oxazol-2-yl)methylamino]cyclohexane-1-carboxylic acid
CID 106369276
3-[(5-Methyl-1,3-oxazol-2-yl)methylamino]cyclohexane-1-carboxylic acid
CID 106370126
2-[1-[2-[(5-Ethyl-1,3-oxazol-2-yl)methylamino]-2-oxoethyl]cyclopentyl]acetic acid
CID 106370129
2-[(5-Ethyl-1,3-oxazol-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 106370130
2-[(5-Ethyl-1,3-oxazol-2-yl)methylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 106370136
cis-(1S,2R)-2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 106370141
1-[2-[(5-Ethyl-1,3-oxazol-2-yl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 106370155
cis-(1R,2S)-2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 106370173

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]cyclopentyl]acetic acid (CID 106374503) is 2-[1-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]cyclopentyl]acetic acid is Cc1cnc(CNC(=O)NC2(CC(=O)O)CCCC2)o1.
What is the InChIKey of 2-[1-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]cyclopentyl]acetic acid?
The InChIKey is RTVYBJRFIQFNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-9-7-14-10(20-9)8-15-12(19)16-13(6-11(17)18)4-2-3-5-13/h7H,2-6,8H2,1H3,(H,17,18)(H2,15,16,19).
What are the key properties of 2-[1-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]cyclopentyl]acetic acid?
2-[1-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]cyclopentyl]acetic acid has a molecular weight of 281.31 g/mol, XLogP of 1.57, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]cyclopentyl]acetic acid is sourced from PubChem (CID 106374503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).