2-[[(4-methyl-1,2-oxazole-5-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid

C12H16N2O4 — CID 66335551

IUPAC2-[[(4-methyl-1,2-oxazole-5-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
SMILESCc1cnoc1C(=O)NCC1CCCC1C(=O)O
InChIInChI=1S/C12H16N2O4/c1-7-5-14-18-10(7)11(15)13-6-8-3-2-4-9(8)12(16)17/h5,8-9H,2-4,6H2,1H3,(H,13,15)(H,16,17)
InChIKeyDJSQHSCNRXNSAA-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.21
Rot. Bonds4

About 2-[[(4-methyl-1,2-oxazole-5-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid

2-[[(4-methyl-1,2-oxazole-5-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid (PubChem CID 66335551) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-[[(4-methyl-1,2-oxazole-5-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[(4-methyl-1,2-oxazole-5-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
PubChem CID66335551
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name2-[[(4-methyl-1,2-oxazole-5-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
SMILESCc1cnoc1C(=O)NCC1CCCC1C(=O)O
InChIInChI=1S/C12H16N2O4/c1-7-5-14-18-10(7)11(15)13-6-8-3-2-4-9(8)12(16)17/h5,8-9H,2-4,6H2,1H3,(H,13,15)(H,16,17)
InChIKeyDJSQHSCNRXNSAA-UHFFFAOYSA-N
XLogP1.21
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(4-methylthiophene-3-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 79802782
2-[(pyridazine-4-carbonylamino)methyl]cyclopentane-1-carboxylic acid
CID 113439196
trans-(1S,2R)-2-[[(3,4-dimethylbenzoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 108732317
4-methyl-1-[[(4-methyl-1,2-oxazole-5-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115440980
3-[(4-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid
CID 66334474
2-[[(1-methylimidazole-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 107971526
1-[[(4-methyl-1,2-oxazole-5-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449811
2-[[(3-methoxypyridine-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 105063230
trans-(1S,2R)-2-[[[2-(5,7-dimethyl-1,2-benzoxazol-3-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 108732395
N-(2-ethylbutyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 115668320
methyl 2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]acetate
CID 66336334
trans-(1S,2R)-2-[[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 108732361

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-methyl-1,2-oxazole-5-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[[(4-methyl-1,2-oxazole-5-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid (CID 66335551) is 2-[[(4-methyl-1,2-oxazole-5-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[[(4-methyl-1,2-oxazole-5-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[[(4-methyl-1,2-oxazole-5-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid is Cc1cnoc1C(=O)NCC1CCCC1C(=O)O.
What is the InChIKey of 2-[[(4-methyl-1,2-oxazole-5-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid?
The InChIKey is DJSQHSCNRXNSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-7-5-14-18-10(7)11(15)13-6-8-3-2-4-9(8)12(16)17/h5,8-9H,2-4,6H2,1H3,(H,13,15)(H,16,17).
What are the key properties of 2-[[(4-methyl-1,2-oxazole-5-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid?
2-[[(4-methyl-1,2-oxazole-5-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid has a molecular weight of 252.27 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-methyl-1,2-oxazole-5-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 66335551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).