(2S)-2-[(4-cyclohexylcyclohexyl)amino]propanoic acid

C15H27NO2 — CID 20794994

IUPAC(2S)-2-[(4-cyclohexylcyclohexyl)amino]propanoic acid
SMILESC[C@H](NC1CCC(C2CCCCC2)CC1)C(=O)O
InChIInChI=1S/C15H27NO2/c1-11(15(17)18)16-14-9-7-13(8-10-14)12-5-3-2-4-6-12/h11-14,16H,2-10H2,1H3,(H,17,18)/t11-,13?,14?/m0/s1
InChIKeyDLAUYDFQBUTPSJ-XGNXJENSSA-N
MW253.39 g/mol
LogP3.19
Rot. Bonds4

About (2S)-2-[(4-cyclohexylcyclohexyl)amino]propanoic acid

(2S)-2-[(4-cyclohexylcyclohexyl)amino]propanoic acid (PubChem CID 20794994) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is (2S)-2-[(4-cyclohexylcyclohexyl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[(4-cyclohexylcyclohexyl)amino]propanoic acid
PubChem CID20794994
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name(2S)-2-[(4-cyclohexylcyclohexyl)amino]propanoic acid
SMILESC[C@H](NC1CCC(C2CCCCC2)CC1)C(=O)O
InChIInChI=1S/C15H27NO2/c1-11(15(17)18)16-14-9-7-13(8-10-14)12-5-3-2-4-6-12/h11-14,16H,2-10H2,1H3,(H,17,18)/t11-,13?,14?/m0/s1
InChIKeyDLAUYDFQBUTPSJ-XGNXJENSSA-N
XLogP3.19
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-cyclohexylcyclohexyl)amino]propanoic acid?
The IUPAC name of (2S)-2-[(4-cyclohexylcyclohexyl)amino]propanoic acid (CID 20794994) is (2S)-2-[(4-cyclohexylcyclohexyl)amino]propanoic acid.
What is the SMILES notation for (2S)-2-[(4-cyclohexylcyclohexyl)amino]propanoic acid?
The canonical SMILES for (2S)-2-[(4-cyclohexylcyclohexyl)amino]propanoic acid is C[C@H](NC1CCC(C2CCCCC2)CC1)C(=O)O.
What is the InChIKey of (2S)-2-[(4-cyclohexylcyclohexyl)amino]propanoic acid?
The InChIKey is DLAUYDFQBUTPSJ-XGNXJENSSA-N. The full InChI is InChI=1S/C15H27NO2/c1-11(15(17)18)16-14-9-7-13(8-10-14)12-5-3-2-4-6-12/h11-14,16H,2-10H2,1H3,(H,17,18)/t11-,13?,14?/m0/s1.
What are the key properties of (2S)-2-[(4-cyclohexylcyclohexyl)amino]propanoic acid?
(2S)-2-[(4-cyclohexylcyclohexyl)amino]propanoic acid has a molecular weight of 253.39 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-cyclohexylcyclohexyl)amino]propanoic acid is sourced from PubChem (CID 20794994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).