2-[[(1-ethylcyclopropyl)methylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid

C14H24N2O3 — CID 114101428

IUPAC2-[[(1-ethylcyclopropyl)methylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid
SMILESCCC1(CNC(=O)NCC2CCCC2C(=O)O)CC1
InChIInChI=1S/C14H24N2O3/c1-2-14(6-7-14)9-16-13(19)15-8-10-4-3-5-11(10)12(17)18/h10-11H,2-9H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyMXTGNUWWQZKNHT-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.98
Rot. Bonds6

About 2-[[(1-ethylcyclopropyl)methylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid

2-[[(1-ethylcyclopropyl)methylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid (PubChem CID 114101428) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-[[(1-ethylcyclopropyl)methylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[(1-ethylcyclopropyl)methylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid
PubChem CID114101428
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name2-[[(1-ethylcyclopropyl)methylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid
SMILESCCC1(CNC(=O)NCC2CCCC2C(=O)O)CC1
InChIInChI=1S/C14H24N2O3/c1-2-14(6-7-14)9-16-13(19)15-8-10-4-3-5-11(10)12(17)18/h10-11H,2-9H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyMXTGNUWWQZKNHT-UHFFFAOYSA-N
XLogP1.98
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-(carbamoylamino)ethylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 83114129
2-[[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 66477997
1-[[(2-methylcyclopentyl)methylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 107419976
cis-(1R,3S)-3-[(1-ethylcyclobutyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 114173120
2-[[2-(carbamoylamino)ethylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 83112749
1-[[(2-methylcyclopentyl)methylcarbamoylamino]methyl]cyclopropane-1-carboxylic acid
CID 107420021
trans-(1S,2R)-2-[(phenylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 108781407
4-[(1-ethylcyclopropyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 114101646
2-amino-N-[(1-ethylcyclopropyl)methyl]cyclohexane-1-carboxamide
CID 103810853
2-[[(2,2-dimethylcyclopropanecarbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 107000450
2-[[(3-methylcyclopentyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 114548909
2-[(3-cyclopentylpropylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid
CID 106005026

Frequently Asked Questions

What is the IUPAC name of 2-[[(1-ethylcyclopropyl)methylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[[(1-ethylcyclopropyl)methylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid (CID 114101428) is 2-[[(1-ethylcyclopropyl)methylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[[(1-ethylcyclopropyl)methylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[[(1-ethylcyclopropyl)methylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid is CCC1(CNC(=O)NCC2CCCC2C(=O)O)CC1.
What is the InChIKey of 2-[[(1-ethylcyclopropyl)methylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid?
The InChIKey is MXTGNUWWQZKNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-2-14(6-7-14)9-16-13(19)15-8-10-4-3-5-11(10)12(17)18/h10-11H,2-9H2,1H3,(H,17,18)(H2,15,16,19).
What are the key properties of 2-[[(1-ethylcyclopropyl)methylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid?
2-[[(1-ethylcyclopropyl)methylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid has a molecular weight of 268.36 g/mol, XLogP of 1.98, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1-ethylcyclopropyl)methylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114101428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).