(3R)-3-hydroxy-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]-5-oxohexanamide

C12H23NO4 — CID 95790111

IUPAC(3R)-3-hydroxy-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]-5-oxohexanamide
SMILESCC(=O)C[C@@H](O)CC(=O)N[C@@H](CO)CC(C)C
InChIInChI=1S/C12H23NO4/c1-8(2)4-10(7-14)13-12(17)6-11(16)5-9(3)15/h8,10-11,14,16H,4-7H2,1-3H3,(H,13,17)/t10-,11-/m1/s1
InChIKeyZRECDGZPNIKORU-GHMZBOCLSA-N
MW245.32 g/mol
LogP0.24
Rot. Bonds8

About (3R)-3-hydroxy-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]-5-oxohexanamide

(3R)-3-hydroxy-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]-5-oxohexanamide (PubChem CID 95790111) has the molecular formula C12H23NO4 and a molecular weight of 245.32 g/mol. Its IUPAC name is (3R)-3-hydroxy-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]-5-oxohexanamide.

Molecular Properties

Compound Name(3R)-3-hydroxy-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]-5-oxohexanamide
PubChem CID95790111
Molecular FormulaC12H23NO4
Molecular Weight245.32 g/mol
Exact Mass245.16
IUPAC Name(3R)-3-hydroxy-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]-5-oxohexanamide
SMILESCC(=O)C[C@@H](O)CC(=O)N[C@@H](CO)CC(C)C
InChIInChI=1S/C12H23NO4/c1-8(2)4-10(7-14)13-12(17)6-11(16)5-9(3)15/h8,10-11,14,16H,4-7H2,1-3H3,(H,13,17)/t10-,11-/m1/s1
InChIKeyZRECDGZPNIKORU-GHMZBOCLSA-N
XLogP0.24
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-hydroxy-4-methylpentan-2-yl)-3,4,4-trimethylpentanamide
CID 63834362
N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-3,3-dimethoxypropanamide
CID 10609681
1-(1-hydroxy-4-methylpentan-2-yl)-3-propan-2-ylurea
CID 61246689
N-(1-chloro-4-methylpentan-2-yl)-3-methylbutanamide
CID 114300786
(2S)-2-amino-N-(1-hydroxy-4-methylpentan-2-yl)propanamide
CID 61245278
2-amino-N-(1-hydroxy-4-methylpentan-2-yl)propanamide
CID 61247041
2-cyclopentyl-N-(1-hydroxy-4-methylpentan-2-yl)acetamide
CID 61247343
4-methylpentan-2-one;propane-1,2,3-triol
CID 88598058
2-[1-[2-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 61246423
N-[(2S)-1-hydroxy-4-methylpentan-2-yl]prop-2-enamide
CID 101481663
2-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)butanamide
CID 61246170
2-(4-aminocyclohexyl)-N-(1-hydroxy-4-methylpentan-2-yl)acetamide
CID 62782742

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]-5-oxohexanamide?
The IUPAC name of (3R)-3-hydroxy-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]-5-oxohexanamide (CID 95790111) is (3R)-3-hydroxy-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]-5-oxohexanamide.
What is the SMILES notation for (3R)-3-hydroxy-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]-5-oxohexanamide?
The canonical SMILES for (3R)-3-hydroxy-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]-5-oxohexanamide is CC(=O)C[C@@H](O)CC(=O)N[C@@H](CO)CC(C)C.
What is the InChIKey of (3R)-3-hydroxy-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]-5-oxohexanamide?
The InChIKey is ZRECDGZPNIKORU-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H23NO4/c1-8(2)4-10(7-14)13-12(17)6-11(16)5-9(3)15/h8,10-11,14,16H,4-7H2,1-3H3,(H,13,17)/t10-,11-/m1/s1.
What are the key properties of (3R)-3-hydroxy-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]-5-oxohexanamide?
(3R)-3-hydroxy-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]-5-oxohexanamide has a molecular weight of 245.32 g/mol, XLogP of 0.24, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]-5-oxohexanamide is sourced from PubChem (CID 95790111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).