(2S)-5-(cyclohexylamino)-5-oxo-2-propylpentanoic acid

C14H25NO3 — CID 2188398

IUPAC(2S)-5-(cyclohexylamino)-5-oxo-2-propylpentanoic acid
SMILESCCC[C@@H](CCC(=O)NC1CCCCC1)C(=O)O
InChIInChI=1S/C14H25NO3/c1-2-6-11(14(17)18)9-10-13(16)15-12-7-4-3-5-8-12/h11-12H,2-10H2,1H3,(H,15,16)(H,17,18)/t11-/m0/s1
InChIKeyDECNCJAZQXURMI-NSHDSACASA-N
MW255.36 g/mol
LogP2.72
Rot. Bonds7

About (2S)-5-(cyclohexylamino)-5-oxo-2-propylpentanoic acid

(2S)-5-(cyclohexylamino)-5-oxo-2-propylpentanoic acid (PubChem CID 2188398) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is (2S)-5-(cyclohexylamino)-5-oxo-2-propylpentanoic acid.

Molecular Properties

Compound Name(2S)-5-(cyclohexylamino)-5-oxo-2-propylpentanoic acid
PubChem CID2188398
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name(2S)-5-(cyclohexylamino)-5-oxo-2-propylpentanoic acid
SMILESCCC[C@@H](CCC(=O)NC1CCCCC1)C(=O)O
InChIInChI=1S/C14H25NO3/c1-2-6-11(14(17)18)9-10-13(16)15-12-7-4-3-5-8-12/h11-12H,2-10H2,1H3,(H,15,16)(H,17,18)/t11-/m0/s1
InChIKeyDECNCJAZQXURMI-NSHDSACASA-N
XLogP2.72
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-5-(cyclohexylamino)-5-oxo-2-propylpentanoic acid?
The IUPAC name of (2S)-5-(cyclohexylamino)-5-oxo-2-propylpentanoic acid (CID 2188398) is (2S)-5-(cyclohexylamino)-5-oxo-2-propylpentanoic acid.
What is the SMILES notation for (2S)-5-(cyclohexylamino)-5-oxo-2-propylpentanoic acid?
The canonical SMILES for (2S)-5-(cyclohexylamino)-5-oxo-2-propylpentanoic acid is CCC[C@@H](CCC(=O)NC1CCCCC1)C(=O)O.
What is the InChIKey of (2S)-5-(cyclohexylamino)-5-oxo-2-propylpentanoic acid?
The InChIKey is DECNCJAZQXURMI-NSHDSACASA-N. The full InChI is InChI=1S/C14H25NO3/c1-2-6-11(14(17)18)9-10-13(16)15-12-7-4-3-5-8-12/h11-12H,2-10H2,1H3,(H,15,16)(H,17,18)/t11-/m0/s1.
What are the key properties of (2S)-5-(cyclohexylamino)-5-oxo-2-propylpentanoic acid?
(2S)-5-(cyclohexylamino)-5-oxo-2-propylpentanoic acid has a molecular weight of 255.36 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-(cyclohexylamino)-5-oxo-2-propylpentanoic acid is sourced from PubChem (CID 2188398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).