3-(cyclohexylcarbamoylamino)propanoic acid

C10H18N2O3 — CID 11020253

IUPAC3-(cyclohexylcarbamoylamino)propanoic acid
SMILESO=C(O)CCNC(=O)NC1CCCCC1
InChIInChI=1S/C10H18N2O3/c13-9(14)6-7-11-10(15)12-8-4-2-1-3-5-8/h8H,1-7H2,(H,13,14)(H2,11,12,15)
InChIKeyNSDHVSZEDZTXKH-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.09
Rot. Bonds4

About 3-(cyclohexylcarbamoylamino)propanoic acid

3-(cyclohexylcarbamoylamino)propanoic acid (PubChem CID 11020253) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 3-(cyclohexylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name3-(cyclohexylcarbamoylamino)propanoic acid
PubChem CID11020253
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name3-(cyclohexylcarbamoylamino)propanoic acid
SMILESO=C(O)CCNC(=O)NC1CCCCC1
InChIInChI=1S/C10H18N2O3/c13-9(14)6-7-11-10(15)12-8-4-2-1-3-5-8/h8H,1-7H2,(H,13,14)(H2,11,12,15)
InChIKeyNSDHVSZEDZTXKH-UHFFFAOYSA-N
XLogP1.09
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylcarbamoylamino)propanoic acid?
The IUPAC name of 3-(cyclohexylcarbamoylamino)propanoic acid (CID 11020253) is 3-(cyclohexylcarbamoylamino)propanoic acid.
What is the SMILES notation for 3-(cyclohexylcarbamoylamino)propanoic acid?
The canonical SMILES for 3-(cyclohexylcarbamoylamino)propanoic acid is O=C(O)CCNC(=O)NC1CCCCC1.
What is the InChIKey of 3-(cyclohexylcarbamoylamino)propanoic acid?
The InChIKey is NSDHVSZEDZTXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c13-9(14)6-7-11-10(15)12-8-4-2-1-3-5-8/h8H,1-7H2,(H,13,14)(H2,11,12,15).
What are the key properties of 3-(cyclohexylcarbamoylamino)propanoic acid?
3-(cyclohexylcarbamoylamino)propanoic acid has a molecular weight of 214.26 g/mol, XLogP of 1.09, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylcarbamoylamino)propanoic acid is sourced from PubChem (CID 11020253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).