2-(methoxycarbonylamino)cyclopentane-1-carboxylic acid

C8H13NO4 — CID 64817772

IUPAC2-(methoxycarbonylamino)cyclopentane-1-carboxylic acid
SMILESCOC(=O)NC1CCCC1C(=O)O
InChIInChI=1S/C8H13NO4/c1-13-8(12)9-6-4-2-3-5(6)7(10)11/h5-6H,2-4H2,1H3,(H,9,12)(H,10,11)
InChIKeyRYNSHRQTINMACX-UHFFFAOYSA-N
MW187.19 g/mol
LogP0.60
Rot. Bonds2

About 2-(methoxycarbonylamino)cyclopentane-1-carboxylic acid

2-(methoxycarbonylamino)cyclopentane-1-carboxylic acid (PubChem CID 64817772) has the molecular formula C8H13NO4 and a molecular weight of 187.19 g/mol. Its IUPAC name is 2-(methoxycarbonylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(methoxycarbonylamino)cyclopentane-1-carboxylic acid
PubChem CID64817772
Molecular FormulaC8H13NO4
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name2-(methoxycarbonylamino)cyclopentane-1-carboxylic acid
SMILESCOC(=O)NC1CCCC1C(=O)O
InChIInChI=1S/C8H13NO4/c1-13-8(12)9-6-4-2-3-5(6)7(10)11/h5-6H,2-4H2,1H3,(H,9,12)(H,10,11)
InChIKeyRYNSHRQTINMACX-UHFFFAOYSA-N
XLogP0.60
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,2R)-2-(methoxycarbonylamino)cyclopentane-1-carboxylic acid
CID 59166337
trans-(1R,2R)-2-(methoxycarbonylamino)cyclobutane-1-carboxylic acid
CID 84654598
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylic acid
CID 67452283
cis-(1R,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cycloheptane-1-carboxylic acid
CID 17039480
ethane;methyl N-(2-methylcyclopentyl)carbamate
CID 145397332
methyl N-[(1R,2R)-2-propanoylcyclohexyl]carbamate
CID 67724946
2-[(2-methoxyacetyl)amino]cyclopentane-1-carboxylic acid
CID 64814951
methyl N-[(2R)-2-propanoylcyclohexyl]carbamate
CID 122592104
methyl N-(2-methylcyclohexyl)carbamate
CID 58423091
2-[(2-methoxycyclopentyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 64817335
methyl N-[2-(2-bromoacetyl)cycloheptyl]carbamate
CID 104701650
trans-methyl (1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
CID 11287994

Frequently Asked Questions

What is the IUPAC name of 2-(methoxycarbonylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 2-(methoxycarbonylamino)cyclopentane-1-carboxylic acid (CID 64817772) is 2-(methoxycarbonylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(methoxycarbonylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(methoxycarbonylamino)cyclopentane-1-carboxylic acid is COC(=O)NC1CCCC1C(=O)O.
What is the InChIKey of 2-(methoxycarbonylamino)cyclopentane-1-carboxylic acid?
The InChIKey is RYNSHRQTINMACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO4/c1-13-8(12)9-6-4-2-3-5(6)7(10)11/h5-6H,2-4H2,1H3,(H,9,12)(H,10,11).
What are the key properties of 2-(methoxycarbonylamino)cyclopentane-1-carboxylic acid?
2-(methoxycarbonylamino)cyclopentane-1-carboxylic acid has a molecular weight of 187.19 g/mol, XLogP of 0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxycarbonylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 64817772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).