1-[[(1-ethylpiperidin-3-yl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid

C13H23N3O3 — CID 115451388

IUPAC1-[[(1-ethylpiperidin-3-yl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid
SMILESCCN1CCCC(NC(=O)NCC2(C(=O)O)CC2)C1
InChIInChI=1S/C13H23N3O3/c1-2-16-7-3-4-10(8-16)15-12(19)14-9-13(5-6-13)11(17)18/h10H,2-9H2,1H3,(H,17,18)(H2,14,15,19)
InChIKeyPCJPAEVMOREXTA-UHFFFAOYSA-N
MW269.34 g/mol
LogP0.63
Rot. Bonds5

About 1-[[(1-ethylpiperidin-3-yl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid

1-[[(1-ethylpiperidin-3-yl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid (PubChem CID 115451388) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-[[(1-ethylpiperidin-3-yl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(1-ethylpiperidin-3-yl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid
PubChem CID115451388
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name1-[[(1-ethylpiperidin-3-yl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid
SMILESCCN1CCCC(NC(=O)NCC2(C(=O)O)CC2)C1
InChIInChI=1S/C13H23N3O3/c1-2-16-7-3-4-10(8-16)15-12(19)14-9-13(5-6-13)11(17)18/h10H,2-9H2,1H3,(H,17,18)(H2,14,15,19)
InChIKeyPCJPAEVMOREXTA-UHFFFAOYSA-N
XLogP0.63
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(1-benzylpiperidin-3-yl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 113309373
1-cyclopentyl-3-(1-ethylpiperidin-3-yl)urea
CID 115589989
1-cyclopropyl-3-(1-ethylpiperidin-3-yl)urea
CID 115589816
4-[(1-ethylpiperidin-3-yl)carbamoylamino]-2-hydroxybutanoic acid
CID 107838981
3-[(1-ethylpiperidin-3-yl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 66030045
1-[(2R,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-3-[(3S)-1-ethylpiperidin-3-yl]urea
CID 124737020
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-(1-ethylpiperidin-3-yl)urea
CID 75404998
1-[[(4-ethylcyclohexyl)carbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 115446550
5-[(1-ethylpiperidin-3-yl)carbamoylamino]-5-oxopentanoic acid
CID 61478336
1-[(3S)-1-ethylpiperidin-3-yl]-3-[2-(1,3-thiazol-2-yl)ethyl]urea
CID 94400531
1-[[(3-ethylpiperidine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 113312418
2-anilino-N-(1-ethylpiperidin-3-yl)acetamide
CID 61171381

Frequently Asked Questions

What is the IUPAC name of 1-[[(1-ethylpiperidin-3-yl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[(1-ethylpiperidin-3-yl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid (CID 115451388) is 1-[[(1-ethylpiperidin-3-yl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[(1-ethylpiperidin-3-yl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[(1-ethylpiperidin-3-yl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid is CCN1CCCC(NC(=O)NCC2(C(=O)O)CC2)C1.
What is the InChIKey of 1-[[(1-ethylpiperidin-3-yl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is PCJPAEVMOREXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-2-16-7-3-4-10(8-16)15-12(19)14-9-13(5-6-13)11(17)18/h10H,2-9H2,1H3,(H,17,18)(H2,14,15,19).
What are the key properties of 1-[[(1-ethylpiperidin-3-yl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid?
1-[[(1-ethylpiperidin-3-yl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 269.34 g/mol, XLogP of 0.63, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1-ethylpiperidin-3-yl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 115451388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).