N-[(2S)-2-hydroxypropyl]-3-methylpentanamide

C9H19NO2 — CID 104982256

IUPACN-[(2S)-2-hydroxypropyl]-3-methylpentanamide
SMILESCCC(C)CC(=O)NC[C@H](C)O
InChIInChI=1S/C9H19NO2/c1-4-7(2)5-9(12)10-6-8(3)11/h7-8,11H,4-6H2,1-3H3,(H,10,12)/t7?,8-/m0/s1
InChIKeyYXSBTZUZHLHNGB-MQWKRIRWSA-N
MW173.26 g/mol
LogP0.92
Rot. Bonds5

About N-[(2S)-2-hydroxypropyl]-3-methylpentanamide

N-[(2S)-2-hydroxypropyl]-3-methylpentanamide (PubChem CID 104982256) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is N-[(2S)-2-hydroxypropyl]-3-methylpentanamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxypropyl]-3-methylpentanamide
PubChem CID104982256
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC NameN-[(2S)-2-hydroxypropyl]-3-methylpentanamide
SMILESCCC(C)CC(=O)NC[C@H](C)O
InChIInChI=1S/C9H19NO2/c1-4-7(2)5-9(12)10-6-8(3)11/h7-8,11H,4-6H2,1-3H3,(H,10,12)/t7?,8-/m0/s1
InChIKeyYXSBTZUZHLHNGB-MQWKRIRWSA-N
XLogP0.92
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-hydroxypropyl)-3-methylpentanamide
CID 114875363
4-amino-N-[(2S)-2-hydroxypropyl]-3-methylbutanamide
CID 107221231
N-(2-amino-3-hydroxybutyl)-3-methylpentanamide
CID 114875635
N-(4-hydroxypentyl)-3-methylpentanamide
CID 107300592
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-hydroxy-N-(2-methylbutyl)pentanamide
CID 79193367
(3R)-N-(3-hydroxypropyl)-3-methylpentanamide
CID 173107720
2-hydroxy-4-(3-methylpentanoylamino)butanoic acid
CID 107832068
N-[(2S)-2-hydroxypropyl]-3-oxobutanamide
CID 107856858
2-bromo-N-(2-hydroxypropyl)acetamide
CID 63679537

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxypropyl]-3-methylpentanamide?
The IUPAC name of N-[(2S)-2-hydroxypropyl]-3-methylpentanamide (CID 104982256) is N-[(2S)-2-hydroxypropyl]-3-methylpentanamide.
What is the SMILES notation for N-[(2S)-2-hydroxypropyl]-3-methylpentanamide?
The canonical SMILES for N-[(2S)-2-hydroxypropyl]-3-methylpentanamide is CCC(C)CC(=O)NC[C@H](C)O.
What is the InChIKey of N-[(2S)-2-hydroxypropyl]-3-methylpentanamide?
The InChIKey is YXSBTZUZHLHNGB-MQWKRIRWSA-N. The full InChI is InChI=1S/C9H19NO2/c1-4-7(2)5-9(12)10-6-8(3)11/h7-8,11H,4-6H2,1-3H3,(H,10,12)/t7?,8-/m0/s1.
What are the key properties of N-[(2S)-2-hydroxypropyl]-3-methylpentanamide?
N-[(2S)-2-hydroxypropyl]-3-methylpentanamide has a molecular weight of 173.26 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxypropyl]-3-methylpentanamide is sourced from PubChem (CID 104982256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).