3-(dicyclohexylcarbamoylamino)propanoic acid

C16H28N2O3 — CID 61183721

IUPAC3-(dicyclohexylcarbamoylamino)propanoic acid
SMILESO=C(O)CCNC(=O)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C16H28N2O3/c19-15(20)11-12-17-16(21)18(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h13-14H,1-12H2,(H,17,21)(H,19,20)
InChIKeyVJFUNEBYVNUQAG-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.14
Rot. Bonds5

About 3-(dicyclohexylcarbamoylamino)propanoic acid

3-(dicyclohexylcarbamoylamino)propanoic acid (PubChem CID 61183721) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 3-(dicyclohexylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name3-(dicyclohexylcarbamoylamino)propanoic acid
PubChem CID61183721
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name3-(dicyclohexylcarbamoylamino)propanoic acid
SMILESO=C(O)CCNC(=O)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C16H28N2O3/c19-15(20)11-12-17-16(21)18(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h13-14H,1-12H2,(H,17,21)(H,19,20)
InChIKeyVJFUNEBYVNUQAG-UHFFFAOYSA-N
XLogP3.14
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(dicyclohexylcarbamoylamino)propanoic acid?
The IUPAC name of 3-(dicyclohexylcarbamoylamino)propanoic acid (CID 61183721) is 3-(dicyclohexylcarbamoylamino)propanoic acid.
What is the SMILES notation for 3-(dicyclohexylcarbamoylamino)propanoic acid?
The canonical SMILES for 3-(dicyclohexylcarbamoylamino)propanoic acid is O=C(O)CCNC(=O)N(C1CCCCC1)C1CCCCC1.
What is the InChIKey of 3-(dicyclohexylcarbamoylamino)propanoic acid?
The InChIKey is VJFUNEBYVNUQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c19-15(20)11-12-17-16(21)18(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h13-14H,1-12H2,(H,17,21)(H,19,20).
What are the key properties of 3-(dicyclohexylcarbamoylamino)propanoic acid?
3-(dicyclohexylcarbamoylamino)propanoic acid has a molecular weight of 296.41 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dicyclohexylcarbamoylamino)propanoic acid is sourced from PubChem (CID 61183721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).