N-(2-amino-3-hydroxybutyl)-3-methylpentanamide

C10H22N2O2 — CID 114875635

IUPACN-(2-amino-3-hydroxybutyl)-3-methylpentanamide
SMILESCCC(C)CC(=O)NCC(N)C(C)O
InChIInChI=1S/C10H22N2O2/c1-4-7(2)5-10(14)12-6-9(11)8(3)13/h7-9,13H,4-6,11H2,1-3H3,(H,12,14)
InChIKeyWDLIROFQBQPOEN-UHFFFAOYSA-N
MW202.30 g/mol
LogP0.25
Rot. Bonds6

About N-(2-amino-3-hydroxybutyl)-3-methylpentanamide

N-(2-amino-3-hydroxybutyl)-3-methylpentanamide (PubChem CID 114875635) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is N-(2-amino-3-hydroxybutyl)-3-methylpentanamide.

Molecular Properties

Compound NameN-(2-amino-3-hydroxybutyl)-3-methylpentanamide
PubChem CID114875635
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC NameN-(2-amino-3-hydroxybutyl)-3-methylpentanamide
SMILESCCC(C)CC(=O)NCC(N)C(C)O
InChIInChI=1S/C10H22N2O2/c1-4-7(2)5-10(14)12-6-9(11)8(3)13/h7-9,13H,4-6,11H2,1-3H3,(H,12,14)
InChIKeyWDLIROFQBQPOEN-UHFFFAOYSA-N
XLogP0.25
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-hydroxypropyl]-3-methylpentanamide
CID 104982256
N-(2-hydroxypropyl)-3-methylpentanamide
CID 114875363
N-(2-amino-3-hydroxybutyl)-2-ethylbutanamide
CID 64541693
1-(2-amino-3-hydroxybutyl)-3-ethylurea
CID 64541484
3-methyl-5-(2-methylbutylamino)-5-oxopentanoic acid
CID 62963901
2-methoxy-3-(3-methylpentanoylamino)propanoic acid
CID 106107442
3-methyl-N-(2-methylprop-2-enyl)pentanamide
CID 114875356
4-amino-N-[(2S)-2-hydroxypropyl]-3-methylbutanamide
CID 107221231
N-(4-hydroxypentyl)-3-methylpentanamide
CID 107300592
N-(2-amino-3-hydroxybutyl)-2-cyclohexylacetamide
CID 64542106
(3R)-N-(3-hydroxypropyl)-3-methylpentanamide
CID 173107720
2-hydroxy-4-(3-methylpentanoylamino)butanoic acid
CID 107832068

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-3-hydroxybutyl)-3-methylpentanamide?
The IUPAC name of N-(2-amino-3-hydroxybutyl)-3-methylpentanamide (CID 114875635) is N-(2-amino-3-hydroxybutyl)-3-methylpentanamide.
What is the SMILES notation for N-(2-amino-3-hydroxybutyl)-3-methylpentanamide?
The canonical SMILES for N-(2-amino-3-hydroxybutyl)-3-methylpentanamide is CCC(C)CC(=O)NCC(N)C(C)O.
What is the InChIKey of N-(2-amino-3-hydroxybutyl)-3-methylpentanamide?
The InChIKey is WDLIROFQBQPOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-4-7(2)5-10(14)12-6-9(11)8(3)13/h7-9,13H,4-6,11H2,1-3H3,(H,12,14).
What are the key properties of N-(2-amino-3-hydroxybutyl)-3-methylpentanamide?
N-(2-amino-3-hydroxybutyl)-3-methylpentanamide has a molecular weight of 202.30 g/mol, XLogP of 0.25, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-3-hydroxybutyl)-3-methylpentanamide is sourced from PubChem (CID 114875635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).