2-(carbamoylamino)-1-methylcyclopentane-1-carboxylic acid

C8H14N2O3 — CID 82762898

IUPAC2-(carbamoylamino)-1-methylcyclopentane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCC1NC(N)=O
InChIInChI=1S/C8H14N2O3/c1-8(6(11)12)4-2-3-5(8)10-7(9)13/h5H,2-4H2,1H3,(H,11,12)(H3,9,10,13)
InChIKeyXJWSFHHJXIAIGG-UHFFFAOYSA-N
MW186.21 g/mol
LogP0.30
Rot. Bonds2

About 2-(carbamoylamino)-1-methylcyclopentane-1-carboxylic acid

2-(carbamoylamino)-1-methylcyclopentane-1-carboxylic acid (PubChem CID 82762898) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is 2-(carbamoylamino)-1-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(carbamoylamino)-1-methylcyclopentane-1-carboxylic acid
PubChem CID82762898
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name2-(carbamoylamino)-1-methylcyclopentane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCC1NC(N)=O
InChIInChI=1S/C8H14N2O3/c1-8(6(11)12)4-2-3-5(8)10-7(9)13/h5H,2-4H2,1H3,(H,11,12)(H3,9,10,13)
InChIKeyXJWSFHHJXIAIGG-UHFFFAOYSA-N
XLogP0.30
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-amino-3-oxopropyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid
CID 82762583
2-[[2-(carbamoylamino)-3-methylpentanoyl]amino]-1-methylcyclopentane-1-carboxylic acid
CID 82765494
cis-(1S,2S)-1-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid
CID 124575960
2-[(2-amino-2-methylpropanoyl)amino]-1-methylcyclohexane-1-carboxylic acid
CID 83213858
2-[[(2R)-2-aminopropanoyl]amino]-1-methylcyclohexane-1-carboxylic acid
CID 83213563
2-(2-aminopropanoylamino)-1-methylcyclohexane-1-carboxylic acid
CID 83214083
2-[(3,3-dimethylcyclopentyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid
CID 114549013
2-[(2,2-dimethylcyclohexanecarbonyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 107175872
2-[(2-amino-3-methoxypropanoyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82762630
2-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82762408
2-(bicyclo[4.1.0]heptane-7-carbonylamino)-1-methylcyclohexane-1-carboxylic acid
CID 83214667
2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82765389

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-1-methylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-(carbamoylamino)-1-methylcyclopentane-1-carboxylic acid (CID 82762898) is 2-(carbamoylamino)-1-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(carbamoylamino)-1-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(carbamoylamino)-1-methylcyclopentane-1-carboxylic acid is CC1(C(=O)O)CCCC1NC(N)=O.
What is the InChIKey of 2-(carbamoylamino)-1-methylcyclopentane-1-carboxylic acid?
The InChIKey is XJWSFHHJXIAIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-8(6(11)12)4-2-3-5(8)10-7(9)13/h5H,2-4H2,1H3,(H,11,12)(H3,9,10,13).
What are the key properties of 2-(carbamoylamino)-1-methylcyclopentane-1-carboxylic acid?
2-(carbamoylamino)-1-methylcyclopentane-1-carboxylic acid has a molecular weight of 186.21 g/mol, XLogP of 0.30, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-1-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 82762898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).