3-[(4-aminocyclohexanecarbonyl)amino]propanoic acid

C10H18N2O3 — CID 61156730

IUPAC3-[(4-aminocyclohexanecarbonyl)amino]propanoic acid
SMILESNC1CCC(C(=O)NCCC(=O)O)CC1
InChIInChI=1S/C10H18N2O3/c11-8-3-1-7(2-4-8)10(15)12-6-5-9(13)14/h7-8H,1-6,11H2,(H,12,15)(H,13,14)
InChIKeyZORYEKZUPIXRMI-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.09
Rot. Bonds4

About 3-[(4-aminocyclohexanecarbonyl)amino]propanoic acid

3-[(4-aminocyclohexanecarbonyl)amino]propanoic acid (PubChem CID 61156730) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 3-[(4-aminocyclohexanecarbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(4-aminocyclohexanecarbonyl)amino]propanoic acid
PubChem CID61156730
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name3-[(4-aminocyclohexanecarbonyl)amino]propanoic acid
SMILESNC1CCC(C(=O)NCCC(=O)O)CC1
InChIInChI=1S/C10H18N2O3/c11-8-3-1-7(2-4-8)10(15)12-6-5-9(13)14/h7-8H,1-6,11H2,(H,12,15)(H,13,14)
InChIKeyZORYEKZUPIXRMI-UHFFFAOYSA-N
XLogP0.09
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-aminocyclohexanecarbonyl)amino]propanoic acid?
The IUPAC name of 3-[(4-aminocyclohexanecarbonyl)amino]propanoic acid (CID 61156730) is 3-[(4-aminocyclohexanecarbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[(4-aminocyclohexanecarbonyl)amino]propanoic acid?
The canonical SMILES for 3-[(4-aminocyclohexanecarbonyl)amino]propanoic acid is NC1CCC(C(=O)NCCC(=O)O)CC1.
What is the InChIKey of 3-[(4-aminocyclohexanecarbonyl)amino]propanoic acid?
The InChIKey is ZORYEKZUPIXRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c11-8-3-1-7(2-4-8)10(15)12-6-5-9(13)14/h7-8H,1-6,11H2,(H,12,15)(H,13,14).
What are the key properties of 3-[(4-aminocyclohexanecarbonyl)amino]propanoic acid?
3-[(4-aminocyclohexanecarbonyl)amino]propanoic acid has a molecular weight of 214.26 g/mol, XLogP of 0.09, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-aminocyclohexanecarbonyl)amino]propanoic acid is sourced from PubChem (CID 61156730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).