(2R)-5-(cyclohexylamino)-2-methyl-5-oxopentanoic acid

C12H21NO3 — CID 2200165

IUPAC(2R)-5-(cyclohexylamino)-2-methyl-5-oxopentanoic acid
SMILESC[C@H](CCC(=O)NC1CCCCC1)C(=O)O
InChIInChI=1S/C12H21NO3/c1-9(12(15)16)7-8-11(14)13-10-5-3-2-4-6-10/h9-10H,2-8H2,1H3,(H,13,14)(H,15,16)/t9-/m1/s1
InChIKeyORHBRNGIQYZQRP-SECBINFHSA-N
MW227.30 g/mol
LogP1.94
Rot. Bonds5

About (2R)-5-(cyclohexylamino)-2-methyl-5-oxopentanoic acid

(2R)-5-(cyclohexylamino)-2-methyl-5-oxopentanoic acid (PubChem CID 2200165) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is (2R)-5-(cyclohexylamino)-2-methyl-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-5-(cyclohexylamino)-2-methyl-5-oxopentanoic acid
PubChem CID2200165
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name(2R)-5-(cyclohexylamino)-2-methyl-5-oxopentanoic acid
SMILESC[C@H](CCC(=O)NC1CCCCC1)C(=O)O
InChIInChI=1S/C12H21NO3/c1-9(12(15)16)7-8-11(14)13-10-5-3-2-4-6-10/h9-10H,2-8H2,1H3,(H,13,14)(H,15,16)/t9-/m1/s1
InChIKeyORHBRNGIQYZQRP-SECBINFHSA-N
XLogP1.94
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 2932888
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CID 4614062
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CID 3884403
3-[4-[2-(cyclopentylamino)-2-oxoethyl]piperazin-1-yl]-2-methylpropanoic acid
CID 82323003
(2S)-4-(cyclohexylamino)-4-oxo-2-propan-2-ylbutanoic acid
CID 58938741
(2R)-2-[[2-(cyclohexylamino)-2-oxoethyl]amino]propanoic acid
CID 83194051
(2S)-2-amino-N-[3-(cyclohexylamino)-3-oxopropyl]propanamide;hydrochloride
CID 119299474
4-(aminomethyl)-N-cyclohexylhexanamide
CID 112515401
5-(cyclopentylcarbamoylamino)-2-methylpentanoic acid
CID 104682816
N-cyclohexyl-3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propanamide
CID 112628386
N-cyclohexyl-3-methylbutanamide;methane
CID 161464891
N-cycloheptyl-N'-cyclopentylpropanediamide
CID 108942189

Frequently Asked Questions

What is the IUPAC name of (2R)-5-(cyclohexylamino)-2-methyl-5-oxopentanoic acid?
The IUPAC name of (2R)-5-(cyclohexylamino)-2-methyl-5-oxopentanoic acid (CID 2200165) is (2R)-5-(cyclohexylamino)-2-methyl-5-oxopentanoic acid.
What is the SMILES notation for (2R)-5-(cyclohexylamino)-2-methyl-5-oxopentanoic acid?
The canonical SMILES for (2R)-5-(cyclohexylamino)-2-methyl-5-oxopentanoic acid is C[C@H](CCC(=O)NC1CCCCC1)C(=O)O.
What is the InChIKey of (2R)-5-(cyclohexylamino)-2-methyl-5-oxopentanoic acid?
The InChIKey is ORHBRNGIQYZQRP-SECBINFHSA-N. The full InChI is InChI=1S/C12H21NO3/c1-9(12(15)16)7-8-11(14)13-10-5-3-2-4-6-10/h9-10H,2-8H2,1H3,(H,13,14)(H,15,16)/t9-/m1/s1.
What are the key properties of (2R)-5-(cyclohexylamino)-2-methyl-5-oxopentanoic acid?
(2R)-5-(cyclohexylamino)-2-methyl-5-oxopentanoic acid has a molecular weight of 227.30 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-(cyclohexylamino)-2-methyl-5-oxopentanoic acid is sourced from PubChem (CID 2200165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).