(2S)-2-hydroxy-N-(3-methoxypropyl)-4-methylpentanamide

C10H21NO3 — CID 118216551

IUPAC(2S)-2-hydroxy-N-(3-methoxypropyl)-4-methylpentanamide
SMILESCOCCCNC(=O)[C@@H](O)CC(C)C
InChIInChI=1S/C10H21NO3/c1-8(2)7-9(12)10(13)11-5-4-6-14-3/h8-9,12H,4-7H2,1-3H3,(H,11,13)/t9-/m0/s1
InChIKeyVQZTUXXYXPQPQF-VIFPVBQESA-N
MW203.28 g/mol
LogP0.55
Rot. Bonds7

About (2S)-2-hydroxy-N-(3-methoxypropyl)-4-methylpentanamide

(2S)-2-hydroxy-N-(3-methoxypropyl)-4-methylpentanamide (PubChem CID 118216551) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is (2S)-2-hydroxy-N-(3-methoxypropyl)-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-hydroxy-N-(3-methoxypropyl)-4-methylpentanamide
PubChem CID118216551
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name(2S)-2-hydroxy-N-(3-methoxypropyl)-4-methylpentanamide
SMILESCOCCCNC(=O)[C@@H](O)CC(C)C
InChIInChI=1S/C10H21NO3/c1-8(2)7-9(12)10(13)11-5-4-6-14-3/h8-9,12H,4-7H2,1-3H3,(H,11,13)/t9-/m0/s1
InChIKeyVQZTUXXYXPQPQF-VIFPVBQESA-N
XLogP0.55
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-N-(3-methoxypropyl)propanamide
CID 43558715
2-amino-N-(3-methoxypropyl)-4-methylpentanamide
CID 22170060
N-(3-methoxypropyl)-2-(4-methylpentan-2-ylamino)propanamide
CID 43372145
2,2-dichloro-N-(3-methoxypropyl)acetamide
CID 3598343
(2S)-2-amino-N-(3-methoxypropyl)-3-methylbutanamide
CID 22690621
3-(3-methoxypropyl)-1,1-bis(2-methylpropyl)urea
CID 60546714
(2S)-2-hydroxy-N-(2-methoxyethyl)butanamide
CID 118219628
2-amino-5-methoxy-N-(3-methoxypropyl)pentanamide
CID 81081158
4-chloro-N-[(2R)-1-(3-methoxypropylamino)-4-methyl-1-oxopentan-2-yl]benzamide
CID 35513680
3-methoxypropylurea
CID 2064040
methyl 3-[[1-(3-methoxypropylamino)-1-oxopropan-2-yl]amino]propanoate
CID 60719502
methyl 2-[[1-(3-methoxypropylamino)-1-oxopropan-2-yl]-methylamino]acetate
CID 60720984

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-N-(3-methoxypropyl)-4-methylpentanamide?
The IUPAC name of (2S)-2-hydroxy-N-(3-methoxypropyl)-4-methylpentanamide (CID 118216551) is (2S)-2-hydroxy-N-(3-methoxypropyl)-4-methylpentanamide.
What is the SMILES notation for (2S)-2-hydroxy-N-(3-methoxypropyl)-4-methylpentanamide?
The canonical SMILES for (2S)-2-hydroxy-N-(3-methoxypropyl)-4-methylpentanamide is COCCCNC(=O)[C@@H](O)CC(C)C.
What is the InChIKey of (2S)-2-hydroxy-N-(3-methoxypropyl)-4-methylpentanamide?
The InChIKey is VQZTUXXYXPQPQF-VIFPVBQESA-N. The full InChI is InChI=1S/C10H21NO3/c1-8(2)7-9(12)10(13)11-5-4-6-14-3/h8-9,12H,4-7H2,1-3H3,(H,11,13)/t9-/m0/s1.
What are the key properties of (2S)-2-hydroxy-N-(3-methoxypropyl)-4-methylpentanamide?
(2S)-2-hydroxy-N-(3-methoxypropyl)-4-methylpentanamide has a molecular weight of 203.28 g/mol, XLogP of 0.55, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-N-(3-methoxypropyl)-4-methylpentanamide is sourced from PubChem (CID 118216551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).