3-[cyclopropyl-[(3-ethylcyclohexyl)carbamoyl]amino]propanoic acid

C15H26N2O3 — CID 64742171

IUPAC3-[cyclopropyl-[(3-ethylcyclohexyl)carbamoyl]amino]propanoic acid
SMILESCCC1CCCC(NC(=O)N(CCC(=O)O)C2CC2)C1
InChIInChI=1S/C15H26N2O3/c1-2-11-4-3-5-12(10-11)16-15(20)17(13-6-7-13)9-8-14(18)19/h11-13H,2-10H2,1H3,(H,16,20)(H,18,19)
InChIKeyXNGDEOUUQRDUFW-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.60
Rot. Bonds6

About 3-[cyclopropyl-[(3-ethylcyclohexyl)carbamoyl]amino]propanoic acid

3-[cyclopropyl-[(3-ethylcyclohexyl)carbamoyl]amino]propanoic acid (PubChem CID 64742171) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 3-[cyclopropyl-[(3-ethylcyclohexyl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl-[(3-ethylcyclohexyl)carbamoyl]amino]propanoic acid
PubChem CID64742171
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name3-[cyclopropyl-[(3-ethylcyclohexyl)carbamoyl]amino]propanoic acid
SMILESCCC1CCCC(NC(=O)N(CCC(=O)O)C2CC2)C1
InChIInChI=1S/C15H26N2O3/c1-2-11-4-3-5-12(10-11)16-15(20)17(13-6-7-13)9-8-14(18)19/h11-13H,2-10H2,1H3,(H,16,20)(H,18,19)
InChIKeyXNGDEOUUQRDUFW-UHFFFAOYSA-N
XLogP2.60
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[cyclooctylcarbamoyl(cyclopropyl)amino]propanoic acid
CID 61181431
5-[(3-ethylcyclohexyl)amino]pentanoic acid
CID 103253769
(2S)-2-[(3-ethylcyclohexyl)carbamoylamino]pentanedioic acid
CID 64743340
4-chloro-N-(3-ethylcyclohexyl)butanamide
CID 64748225
2-ethoxy-N-(3-ethylcyclohexyl)acetamide
CID 64748602
1-(3-amino-3-hydroxyiminopropyl)-3-cyclobutyl-1-cyclopropylurea
CID 104892227
3-[cyclopropyl-[(2-methoxycyclopentyl)carbamoyl]amino]propanoic acid
CID 62088099
N-(3-ethylcyclohexyl)-5-hydroxypentanamide
CID 79210264
3-[(3-ethylcyclohexyl)carbamoylamino]-3-methylbutanoic acid
CID 64743923
3-[[butyl(cyclopropyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 66030439
3-[acetyl(cyclopropyl)amino]propanoic acid
CID 60843836
2-[cyclopentylcarbamoyl(cyclopropyl)amino]acetic acid
CID 61187386

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-[(3-ethylcyclohexyl)carbamoyl]amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl-[(3-ethylcyclohexyl)carbamoyl]amino]propanoic acid (CID 64742171) is 3-[cyclopropyl-[(3-ethylcyclohexyl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl-[(3-ethylcyclohexyl)carbamoyl]amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl-[(3-ethylcyclohexyl)carbamoyl]amino]propanoic acid is CCC1CCCC(NC(=O)N(CCC(=O)O)C2CC2)C1.
What is the InChIKey of 3-[cyclopropyl-[(3-ethylcyclohexyl)carbamoyl]amino]propanoic acid?
The InChIKey is XNGDEOUUQRDUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-2-11-4-3-5-12(10-11)16-15(20)17(13-6-7-13)9-8-14(18)19/h11-13H,2-10H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 3-[cyclopropyl-[(3-ethylcyclohexyl)carbamoyl]amino]propanoic acid?
3-[cyclopropyl-[(3-ethylcyclohexyl)carbamoyl]amino]propanoic acid has a molecular weight of 282.38 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-[(3-ethylcyclohexyl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 64742171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).