(2S)-2-amino-N-(2-methylprop-2-enyl)pentanamide

C9H18N2O — CID 107570801

IUPAC(2S)-2-amino-N-(2-methylprop-2-enyl)pentanamide
SMILESC=C(C)CNC(=O)[C@@H](N)CCC
InChIInChI=1S/C9H18N2O/c1-4-5-8(10)9(12)11-6-7(2)3/h8H,2,4-6,10H2,1,3H3,(H,11,12)/t8-/m0/s1
InChIKeyGTKKAVFMJSVFRD-QMMMGPOBSA-N
MW170.26 g/mol
LogP0.81
Rot. Bonds5

About (2S)-2-amino-N-(2-methylprop-2-enyl)pentanamide

(2S)-2-amino-N-(2-methylprop-2-enyl)pentanamide (PubChem CID 107570801) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-methylprop-2-enyl)pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-methylprop-2-enyl)pentanamide
PubChem CID107570801
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name(2S)-2-amino-N-(2-methylprop-2-enyl)pentanamide
SMILESC=C(C)CNC(=O)[C@@H](N)CCC
InChIInChI=1S/C9H18N2O/c1-4-5-8(10)9(12)11-6-7(2)3/h8H,2,4-6,10H2,1,3H3,(H,11,12)/t8-/m0/s1
InChIKeyGTKKAVFMJSVFRD-QMMMGPOBSA-N
XLogP0.81
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-propylpentanamide
CID 43649977
2-amino-3-methoxy-N-(2-methylprop-2-enyl)propanamide
CID 114617067
ethyl 2-[[(2S)-2-aminopentanoyl]amino]acetate
CID 107568770
2-amino-5-(diaminomethylideneamino)-N-(2-methylprop-2-enyl)pentanamide;hydron;chloride
CID 90457141
(2S)-2-amino-N-(2-hydroxyethyl)pentanamide
CID 89064333
(2R)-2-amino-N-butylpentanamide
CID 82668431
(2R)-2-amino-3-methyl-N-(2-methylprop-2-enyl)butanamide
CID 104940094
2-amino-N-(2-bromoprop-2-enyl)hexanamide
CID 115753303
2-amino-N-(3-methylbut-2-enyl)pentanamide
CID 106187050
(2S)-2-amino-N-(2-ethoxyethyl)pentanamide
CID 107568294
2-methyl-N-(2-methylprop-2-enyl)butanamide
CID 114618817
2-amino-N-(3,3-dimethylbutyl)pentanamide
CID 112687728

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-methylprop-2-enyl)pentanamide?
The IUPAC name of (2S)-2-amino-N-(2-methylprop-2-enyl)pentanamide (CID 107570801) is (2S)-2-amino-N-(2-methylprop-2-enyl)pentanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-methylprop-2-enyl)pentanamide?
The canonical SMILES for (2S)-2-amino-N-(2-methylprop-2-enyl)pentanamide is C=C(C)CNC(=O)[C@@H](N)CCC.
What is the InChIKey of (2S)-2-amino-N-(2-methylprop-2-enyl)pentanamide?
The InChIKey is GTKKAVFMJSVFRD-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H18N2O/c1-4-5-8(10)9(12)11-6-7(2)3/h8H,2,4-6,10H2,1,3H3,(H,11,12)/t8-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-methylprop-2-enyl)pentanamide?
(2S)-2-amino-N-(2-methylprop-2-enyl)pentanamide has a molecular weight of 170.26 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-methylprop-2-enyl)pentanamide is sourced from PubChem (CID 107570801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).