(2S)-2-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-3-methylpentanamide

C12H24N2O2 — CID 107221962

IUPAC(2S)-2-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-3-methylpentanamide
SMILESCCC(C)[C@H](N)C(=O)N[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C12H24N2O2/c1-3-8(2)11(13)12(16)14-9-6-4-5-7-10(9)15/h8-11,15H,3-7,13H2,1-2H3,(H,14,16)/t8?,9-,10-,11+/m1/s1
InChIKeyMDVHGTSSERRUHG-OCPDBYLZSA-N
MW228.34 g/mol
LogP0.78
Rot. Bonds4

About (2S)-2-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-3-methylpentanamide

(2S)-2-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-3-methylpentanamide (PubChem CID 107221962) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is (2S)-2-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-3-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-3-methylpentanamide
PubChem CID107221962
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name(2S)-2-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-3-methylpentanamide
SMILESCCC(C)[C@H](N)C(=O)N[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C12H24N2O2/c1-3-8(2)11(13)12(16)14-9-6-4-5-7-10(9)15/h8-11,15H,3-7,13H2,1-2H3,(H,14,16)/t8?,9-,10-,11+/m1/s1
InChIKeyMDVHGTSSERRUHG-OCPDBYLZSA-N
XLogP0.78
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopropylmethyl)-N'-[(1S,2S)-2-hydroxycyclohexyl]oxamide
CID 136581114
N-[(1R,2R)-2-hydroxycyclohexyl]-2-[methyl(propan-2-yl)amino]acetamide
CID 137986908
N-[(1S,2S)-2-hydroxycyclohexyl]butanamide
CID 11252410
2-amino-3,3,3-trifluoro-N-(2-hydroxycyclohexyl)-2-methylpropanamide
CID 79812107
2-amino-3,3,3-trifluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-2-methylpropanamide
CID 107221581
2-amino-3,3,3-trifluoro-N-[(1R,2R)-2-hydroxycyclohexyl]-2-methylpropanamide
CID 107221986
N~1~-[(1R*,2R*)-2-hydroxycyclohexyl]-N~2~-methyl-N~1~-propylglycinamide
CID 56873062
(3S,6R)-6-[(1S)-1-hydroxybutyl]-3-propan-2-ylpiperazin-2-one
CID 21636706
cyclohexyl-N-(2-hydroxycyclohexyl)carboxamide
CID 4116764
(2S)-2-amino-N-[(2S,3R)-3-hydroxyoctadecan-2-yl]-3-methylbutanamide
CID 10134648
N-[(1R,2R)-2-Hydroxycyclohexyl]butanamide
CID 11412789
N-(3-amino-2-hydroxy-5-methylhexyl)pentanamide
CID 14180821

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-3-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-3-methylpentanamide (CID 107221962) is (2S)-2-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-3-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-3-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-3-methylpentanamide is CCC(C)[C@H](N)C(=O)N[C@@H]1CCCC[C@H]1O.
What is the InChIKey of (2S)-2-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-3-methylpentanamide?
The InChIKey is MDVHGTSSERRUHG-OCPDBYLZSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-3-8(2)11(13)12(16)14-9-6-4-5-7-10(9)15/h8-11,15H,3-7,13H2,1-2H3,(H,14,16)/t8?,9-,10-,11+/m1/s1.
What are the key properties of (2S)-2-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-3-methylpentanamide?
(2S)-2-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-3-methylpentanamide has a molecular weight of 228.34 g/mol, XLogP of 0.78, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-3-methylpentanamide is sourced from PubChem (CID 107221962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).