(3S)-3-(hydroxymethyl)-4-methyl-2-methylidenepentanamide

C8H15NO2 — CID 11159459

IUPAC(3S)-3-(hydroxymethyl)-4-methyl-2-methylidenepentanamide
SMILESC=C(C(N)=O)[C@@H](CO)C(C)C
InChIInChI=1S/C8H15NO2/c1-5(2)7(4-10)6(3)8(9)11/h5,7,10H,3-4H2,1-2H3,(H2,9,11)/t7-/m0/s1
InChIKeyRIUFHJMXMUSFIE-ZETCQYMHSA-N
MW157.21 g/mol
LogP0.29
Rot. Bonds4

About (3S)-3-(hydroxymethyl)-4-methyl-2-methylidenepentanamide

(3S)-3-(hydroxymethyl)-4-methyl-2-methylidenepentanamide (PubChem CID 11159459) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is (3S)-3-(hydroxymethyl)-4-methyl-2-methylidenepentanamide.

Molecular Properties

Compound Name(3S)-3-(hydroxymethyl)-4-methyl-2-methylidenepentanamide
PubChem CID11159459
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name(3S)-3-(hydroxymethyl)-4-methyl-2-methylidenepentanamide
SMILESC=C(C(N)=O)[C@@H](CO)C(C)C
InChIInChI=1S/C8H15NO2/c1-5(2)7(4-10)6(3)8(9)11/h5,7,10H,3-4H2,1-2H3,(H2,9,11)/t7-/m0/s1
InChIKeyRIUFHJMXMUSFIE-ZETCQYMHSA-N
XLogP0.29
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-methyl-2-methylidene-3-propan-2-ylpentanamide
CID 141368866
methyl 2-(hydroxymethyl)-3-methylbutanoate
CID 11062523
4-hydroxy-2-propan-2-ylpent-4-enamide
CID 145216549
3-methyl-2,5-dimethylidenehexanediamide
CID 19422323
ethane;3-methyl-2-methylidenehexanamide
CID 145466339
3-carbamoyl-2-methylbut-3-ene-1-sulfonic acid
CID 87443837
(2R)-4-iodo-2-propan-2-ylpentanamide
CID 89289820
3-(hydroxymethyl)-4-methyl-2-methylidenepentanenitrile
CID 11228843
ethane;3-ethyl-4-methylpent-1-en-2-amine
CID 143289250
3-amino-2-methylbut-3-en-1-ol
CID 143544491
2-carbamoylpent-1-en-3-yl(trimethyl)azanium
CID 18798178
3-(dibutylamino)-2-methylidenebutanamide
CID 19885813

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(hydroxymethyl)-4-methyl-2-methylidenepentanamide?
The IUPAC name of (3S)-3-(hydroxymethyl)-4-methyl-2-methylidenepentanamide (CID 11159459) is (3S)-3-(hydroxymethyl)-4-methyl-2-methylidenepentanamide.
What is the SMILES notation for (3S)-3-(hydroxymethyl)-4-methyl-2-methylidenepentanamide?
The canonical SMILES for (3S)-3-(hydroxymethyl)-4-methyl-2-methylidenepentanamide is C=C(C(N)=O)[C@@H](CO)C(C)C.
What is the InChIKey of (3S)-3-(hydroxymethyl)-4-methyl-2-methylidenepentanamide?
The InChIKey is RIUFHJMXMUSFIE-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H15NO2/c1-5(2)7(4-10)6(3)8(9)11/h5,7,10H,3-4H2,1-2H3,(H2,9,11)/t7-/m0/s1.
What are the key properties of (3S)-3-(hydroxymethyl)-4-methyl-2-methylidenepentanamide?
(3S)-3-(hydroxymethyl)-4-methyl-2-methylidenepentanamide has a molecular weight of 157.21 g/mol, XLogP of 0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(hydroxymethyl)-4-methyl-2-methylidenepentanamide is sourced from PubChem (CID 11159459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).