(2S)-5-(cyclohexylamino)-5-oxo-2-propan-2-ylpentanoic acid

C14H25NO3 — CID 7373663

IUPAC(2S)-5-(cyclohexylamino)-5-oxo-2-propan-2-ylpentanoic acid
SMILESCC(C)[C@H](CCC(=O)NC1CCCCC1)C(=O)O
InChIInChI=1S/C14H25NO3/c1-10(2)12(14(17)18)8-9-13(16)15-11-6-4-3-5-7-11/h10-12H,3-9H2,1-2H3,(H,15,16)(H,17,18)/t12-/m0/s1
InChIKeySEHXCOTYDLTHEY-LBPRGKRZSA-N
MW255.36 g/mol
LogP2.57
Rot. Bonds6

About (2S)-5-(cyclohexylamino)-5-oxo-2-propan-2-ylpentanoic acid

(2S)-5-(cyclohexylamino)-5-oxo-2-propan-2-ylpentanoic acid (PubChem CID 7373663) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is (2S)-5-(cyclohexylamino)-5-oxo-2-propan-2-ylpentanoic acid.

Molecular Properties

Compound Name(2S)-5-(cyclohexylamino)-5-oxo-2-propan-2-ylpentanoic acid
PubChem CID7373663
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name(2S)-5-(cyclohexylamino)-5-oxo-2-propan-2-ylpentanoic acid
SMILESCC(C)[C@H](CCC(=O)NC1CCCCC1)C(=O)O
InChIInChI=1S/C14H25NO3/c1-10(2)12(14(17)18)8-9-13(16)15-11-6-4-3-5-7-11/h10-12H,3-9H2,1-2H3,(H,15,16)(H,17,18)/t12-/m0/s1
InChIKeySEHXCOTYDLTHEY-LBPRGKRZSA-N
XLogP2.57
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.57
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-propan-2-ylpentanoic acid?
The IUPAC name of (2S)-5-(cyclohexylamino)-5-oxo-2-propan-2-ylpentanoic acid (CID 7373663) is (2S)-5-(cyclohexylamino)-5-oxo-2-propan-2-ylpentanoic acid.
What is the SMILES notation for (2S)-5-(cyclohexylamino)-5-oxo-2-propan-2-ylpentanoic acid?
The canonical SMILES for (2S)-5-(cyclohexylamino)-5-oxo-2-propan-2-ylpentanoic acid is CC(C)[C@H](CCC(=O)NC1CCCCC1)C(=O)O.
What is the InChIKey of (2S)-5-(cyclohexylamino)-5-oxo-2-propan-2-ylpentanoic acid?
The InChIKey is SEHXCOTYDLTHEY-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H25NO3/c1-10(2)12(14(17)18)8-9-13(16)15-11-6-4-3-5-7-11/h10-12H,3-9H2,1-2H3,(H,15,16)(H,17,18)/t12-/m0/s1.
What are the key properties of (2S)-5-(cyclohexylamino)-5-oxo-2-propan-2-ylpentanoic acid?
(2S)-5-(cyclohexylamino)-5-oxo-2-propan-2-ylpentanoic acid has a molecular weight of 255.36 g/mol, XLogP of 2.57, 6 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-propan-2-ylpentanoic acid is sourced from PubChem (CID 7373663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).