1-[(carbamoylamino)methyl]cyclopentane-1-carboxylic acid

C8H14N2O3 — CID 115433058

IUPAC1-[(carbamoylamino)methyl]cyclopentane-1-carboxylic acid
SMILESNC(=O)NCC1(C(=O)O)CCCC1
InChIInChI=1S/C8H14N2O3/c9-7(13)10-5-8(6(11)12)3-1-2-4-8/h1-5H2,(H,11,12)(H3,9,10,13)
InChIKeyJTGOODKCSLKKDP-UHFFFAOYSA-N
MW186.21 g/mol
LogP0.30
Rot. Bonds3

About 1-[(carbamoylamino)methyl]cyclopentane-1-carboxylic acid

1-[(carbamoylamino)methyl]cyclopentane-1-carboxylic acid (PubChem CID 115433058) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is 1-[(carbamoylamino)methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(carbamoylamino)methyl]cyclopentane-1-carboxylic acid
PubChem CID115433058
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name1-[(carbamoylamino)methyl]cyclopentane-1-carboxylic acid
SMILESNC(=O)NCC1(C(=O)O)CCCC1
InChIInChI=1S/C8H14N2O3/c9-7(13)10-5-8(6(11)12)3-1-2-4-8/h1-5H2,(H,11,12)(H3,9,10,13)
InChIKeyJTGOODKCSLKKDP-UHFFFAOYSA-N
XLogP0.30
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
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

1-[[[1-(aminomethyl)cycloheptanecarbonyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115450646
1-[(ethoxycarbonylamino)methyl]cyclohexane-1-carboxylic acid
CID 115435935
1-[(prop-2-enoylamino)methyl]cyclopentane-1-carboxylic acid
CID 115433038
1-[[(2-amino-2-methylpropanoyl)amino]methyl]cycloheptane-1-carboxylic acid
CID 115444450
1-[(2,2-dimethylpropanoylamino)methyl]cyclohexane-1-carboxylic acid
CID 115435631
(1-aminocyclohexyl)methylurea
CID 61298669
1-[[(2-amino-2-ethylbutanoyl)amino]methyl]cycloheptane-1-carboxylic acid
CID 115444412
1-[[[(2R)-2-amino-3-methylbutanoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115436415
1-[(3,3-dimethylbutanoylamino)methyl]cyclopentane-1-carboxylic acid
CID 81361889
1-[(cyclohexanecarbonylamino)methyl]cyclohexane-1-carboxylic acid
CID 69400249
1-[[(1-methylcyclopentyl)methylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 113311432
1-[(3-methylbutanoylamino)methyl]cyclopentane-1-carboxylic acid
CID 81367949

Frequently Asked Questions

What is the IUPAC name of 1-[(carbamoylamino)methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(carbamoylamino)methyl]cyclopentane-1-carboxylic acid (CID 115433058) is 1-[(carbamoylamino)methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(carbamoylamino)methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(carbamoylamino)methyl]cyclopentane-1-carboxylic acid is NC(=O)NCC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[(carbamoylamino)methyl]cyclopentane-1-carboxylic acid?
The InChIKey is JTGOODKCSLKKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c9-7(13)10-5-8(6(11)12)3-1-2-4-8/h1-5H2,(H,11,12)(H3,9,10,13).
What are the key properties of 1-[(carbamoylamino)methyl]cyclopentane-1-carboxylic acid?
1-[(carbamoylamino)methyl]cyclopentane-1-carboxylic acid has a molecular weight of 186.21 g/mol, XLogP of 0.30, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(carbamoylamino)methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 115433058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).