1-[2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid

C14H20N2O4 — CID 106370155

IUPAC1-[2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESCCc1cnc(CNC(=O)CC2(C(=O)O)CCCC2)o1
InChIInChI=1S/C14H20N2O4/c1-2-10-8-16-12(20-10)9-15-11(17)7-14(13(18)19)5-3-4-6-14/h8H,2-7,9H2,1H3,(H,15,17)(H,18,19)
InChIKeyGJMVXUBVNMZLQQ-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.89
Rot. Bonds6

About 1-[2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid

1-[2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid (PubChem CID 106370155) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 1-[2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
PubChem CID106370155
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name1-[2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESCCc1cnc(CNC(=O)CC2(C(=O)O)CCCC2)o1
InChIInChI=1S/C14H20N2O4/c1-2-10-8-16-12(20-10)9-15-11(17)7-14(13(18)19)5-3-4-6-14/h8H,2-7,9H2,1H3,(H,15,17)(H,18,19)
InChIKeyGJMVXUBVNMZLQQ-UHFFFAOYSA-N
XLogP1.89
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2,4-dihydroxy-3,3-dimethyl-N-[(5-pentyl-1,3-oxazol-2-yl)methyl]butanamide
CID 164613484
1-[(3S,4S)-5-acetamido-4-methyl-3-(1,3-oxazol-5-yl)hexyl]cyclopentane-1-carboxylic acid
CID 70027530
(2R)-2-[[1-[[(1S)-1-carboxy-2-(5-pentyl-1,3-oxazol-2-yl)ethyl]carbamoyl]cyclopentyl]methyl]pentanoic acid
CID 140053711
4-[(5-Tert-butyl-1,3-oxazol-2-yl)methylamino]butanoic acid
CID 43473777
2-[(5-Tert-butyl-1,3-oxazol-2-yl)methylamino]-2-methylpentanoic acid
CID 43619423
2-[(5-Tert-butyl-1,3-oxazol-2-yl)methylamino]pentanoic acid
CID 43631509
4-[(5-Tert-butyl-1,3-oxazol-2-yl)methylamino]cyclohexane-1-carboxylic acid
CID 60809710
2-[(5-Tert-butyl-1,3-oxazol-2-yl)methylamino]-4-methylpentanoic acid
CID 61671536
2-[1-[(5-Tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-3-yl]acetic acid
CID 62690455
3-[(5-Tert-butyl-1,3-oxazol-2-yl)methylamino]cyclohexane-1-carboxylic acid
CID 63044253
1-[(5-Tert-butyl-1,3-oxazol-2-yl)methyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63148318
1-(5-cyclopentyl-1,3-oxazol-2-yl)-N-methylmethanamine
CID 65179093

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid (CID 106370155) is 1-[2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid is CCc1cnc(CNC(=O)CC2(C(=O)O)CCCC2)o1.
What is the InChIKey of 1-[2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The InChIKey is GJMVXUBVNMZLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-2-10-8-16-12(20-10)9-15-11(17)7-14(13(18)19)5-3-4-6-14/h8H,2-7,9H2,1H3,(H,15,17)(H,18,19).
What are the key properties of 1-[2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
1-[2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid has a molecular weight of 280.32 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106370155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).