(2S)-3-cyclohexyl-2-(piperidine-1-carbonylamino)propanoic acid

C15H26N2O3 — CID 57284625

IUPAC(2S)-3-cyclohexyl-2-(piperidine-1-carbonylamino)propanoic acid
SMILESO=C(O)[C@H](CC1CCCCC1)NC(=O)N1CCCCC1
InChIInChI=1S/C15H26N2O3/c18-14(19)13(11-12-7-3-1-4-8-12)16-15(20)17-9-5-2-6-10-17/h12-13H,1-11H2,(H,16,20)(H,18,19)/t13-/m0/s1
InChIKeyAJGZXTLWJQUMSH-ZDUSSCGKSA-N
MW282.38 g/mol
LogP2.61
Rot. Bonds4

About (2S)-3-cyclohexyl-2-(piperidine-1-carbonylamino)propanoic acid

(2S)-3-cyclohexyl-2-(piperidine-1-carbonylamino)propanoic acid (PubChem CID 57284625) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is (2S)-3-cyclohexyl-2-(piperidine-1-carbonylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-3-cyclohexyl-2-(piperidine-1-carbonylamino)propanoic acid
PubChem CID57284625
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name(2S)-3-cyclohexyl-2-(piperidine-1-carbonylamino)propanoic acid
SMILESO=C(O)[C@H](CC1CCCCC1)NC(=O)N1CCCCC1
InChIInChI=1S/C15H26N2O3/c18-14(19)13(11-12-7-3-1-4-8-12)16-15(20)17-9-5-2-6-10-17/h12-13H,1-11H2,(H,16,20)(H,18,19)/t13-/m0/s1
InChIKeyAJGZXTLWJQUMSH-ZDUSSCGKSA-N
XLogP2.61
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-cyclohexyl-2-(piperidine-1-carbonylamino)propanoic acid?
The IUPAC name of (2S)-3-cyclohexyl-2-(piperidine-1-carbonylamino)propanoic acid (CID 57284625) is (2S)-3-cyclohexyl-2-(piperidine-1-carbonylamino)propanoic acid.
What is the SMILES notation for (2S)-3-cyclohexyl-2-(piperidine-1-carbonylamino)propanoic acid?
The canonical SMILES for (2S)-3-cyclohexyl-2-(piperidine-1-carbonylamino)propanoic acid is O=C(O)[C@H](CC1CCCCC1)NC(=O)N1CCCCC1.
What is the InChIKey of (2S)-3-cyclohexyl-2-(piperidine-1-carbonylamino)propanoic acid?
The InChIKey is AJGZXTLWJQUMSH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H26N2O3/c18-14(19)13(11-12-7-3-1-4-8-12)16-15(20)17-9-5-2-6-10-17/h12-13H,1-11H2,(H,16,20)(H,18,19)/t13-/m0/s1.
What are the key properties of (2S)-3-cyclohexyl-2-(piperidine-1-carbonylamino)propanoic acid?
(2S)-3-cyclohexyl-2-(piperidine-1-carbonylamino)propanoic acid has a molecular weight of 282.38 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-cyclohexyl-2-(piperidine-1-carbonylamino)propanoic acid is sourced from PubChem (CID 57284625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).