(3S)-3-amino-2-hydroxy-5-methyl-N-(3-methylbutyl)hexanamide

C12H26N2O2 — CID 14010040

IUPAC(3S)-3-amino-2-hydroxy-5-methyl-N-(3-methylbutyl)hexanamide
SMILESCC(C)CCNC(=O)C(O)[C@@H](N)CC(C)C
InChIInChI=1S/C12H26N2O2/c1-8(2)5-6-14-12(16)11(15)10(13)7-9(3)4/h8-11,15H,5-7,13H2,1-4H3,(H,14,16)/t10-,11?/m0/s1
InChIKeyMKERBSGRDNFQSK-VUWPPUDQSA-N
MW230.35 g/mol
LogP0.88
Rot. Bonds7

About (3S)-3-amino-2-hydroxy-5-methyl-N-(3-methylbutyl)hexanamide

(3S)-3-amino-2-hydroxy-5-methyl-N-(3-methylbutyl)hexanamide (PubChem CID 14010040) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is (3S)-3-amino-2-hydroxy-5-methyl-N-(3-methylbutyl)hexanamide.

Molecular Properties

Compound Name(3S)-3-amino-2-hydroxy-5-methyl-N-(3-methylbutyl)hexanamide
PubChem CID14010040
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name(3S)-3-amino-2-hydroxy-5-methyl-N-(3-methylbutyl)hexanamide
SMILESCC(C)CCNC(=O)C(O)[C@@H](N)CC(C)C
InChIInChI=1S/C12H26N2O2/c1-8(2)5-6-14-12(16)11(15)10(13)7-9(3)4/h8-11,15H,5-7,13H2,1-4H3,(H,14,16)/t10-,11?/m0/s1
InChIKeyMKERBSGRDNFQSK-VUWPPUDQSA-N
XLogP0.88
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-2-hydroxy-5-methyl-N-(3-methylbutyl)hexanamide?
The IUPAC name of (3S)-3-amino-2-hydroxy-5-methyl-N-(3-methylbutyl)hexanamide (CID 14010040) is (3S)-3-amino-2-hydroxy-5-methyl-N-(3-methylbutyl)hexanamide.
What is the SMILES notation for (3S)-3-amino-2-hydroxy-5-methyl-N-(3-methylbutyl)hexanamide?
The canonical SMILES for (3S)-3-amino-2-hydroxy-5-methyl-N-(3-methylbutyl)hexanamide is CC(C)CCNC(=O)C(O)[C@@H](N)CC(C)C.
What is the InChIKey of (3S)-3-amino-2-hydroxy-5-methyl-N-(3-methylbutyl)hexanamide?
The InChIKey is MKERBSGRDNFQSK-VUWPPUDQSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-8(2)5-6-14-12(16)11(15)10(13)7-9(3)4/h8-11,15H,5-7,13H2,1-4H3,(H,14,16)/t10-,11?/m0/s1.
What are the key properties of (3S)-3-amino-2-hydroxy-5-methyl-N-(3-methylbutyl)hexanamide?
(3S)-3-amino-2-hydroxy-5-methyl-N-(3-methylbutyl)hexanamide has a molecular weight of 230.35 g/mol, XLogP of 0.88, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-2-hydroxy-5-methyl-N-(3-methylbutyl)hexanamide is sourced from PubChem (CID 14010040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).