(2R)-2-amino-3-methyl-N-(2-methylprop-2-enyl)butanamide

C9H18N2O — CID 104940094

IUPAC(2R)-2-amino-3-methyl-N-(2-methylprop-2-enyl)butanamide
SMILESC=C(C)CNC(=O)[C@H](N)C(C)C
InChIInChI=1S/C9H18N2O/c1-6(2)5-11-9(12)8(10)7(3)4/h7-8H,1,5,10H2,2-4H3,(H,11,12)/t8-/m1/s1
InChIKeyKLMZJNCAEKPFNA-MRVPVSSYSA-N
MW170.26 g/mol
LogP0.66
Rot. Bonds4

About (2R)-2-amino-3-methyl-N-(2-methylprop-2-enyl)butanamide

(2R)-2-amino-3-methyl-N-(2-methylprop-2-enyl)butanamide (PubChem CID 104940094) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is (2R)-2-amino-3-methyl-N-(2-methylprop-2-enyl)butanamide.

Molecular Properties

Compound Name(2R)-2-amino-3-methyl-N-(2-methylprop-2-enyl)butanamide
PubChem CID104940094
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name(2R)-2-amino-3-methyl-N-(2-methylprop-2-enyl)butanamide
SMILESC=C(C)CNC(=O)[C@H](N)C(C)C
InChIInChI=1S/C9H18N2O/c1-6(2)5-11-9(12)8(10)7(3)4/h7-8H,1,5,10H2,2-4H3,(H,11,12)/t8-/m1/s1
InChIKeyKLMZJNCAEKPFNA-MRVPVSSYSA-N
XLogP0.66
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.66
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-(2-chloroprop-2-enyl)-3-methylbutanamide
CID 115734359
2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetic acid
CID 6993111
2-methyl-N-(2-methylprop-2-enyl)butanamide
CID 114618817
2-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]amino]acetic acid
CID 7004847
(2S)-2-amino-N-(2-methylprop-2-enyl)pentanamide
CID 107570801
2-amino-N-(3,4-diamino-2,4-dioxobutyl)-3-methylbutanamide
CID 174452502
ethenyl 2-[(2-amino-3-methylbutanoyl)amino]acetate
CID 178083422
2-amino-3-methyl-N-(2-methylpropyl)butanamide
CID 19602466
(2S)-2-amino-N-[8-[[(2S)-2-amino-3-methylbutanoyl]amino]octyl]-3-methylbutanamide
CID 101248769
2-amino-3-methyl-N-(2-oxopropyl)butanamide;carbanide;ethane;propan-1-amine;tungsten
CID 163384720
2-amino-3-methoxy-N-(2-methylprop-2-enyl)propanamide
CID 114617067
2-amino-3-methyl-N-propylbutanamide;ethane
CID 143224871

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-methyl-N-(2-methylprop-2-enyl)butanamide?
The IUPAC name of (2R)-2-amino-3-methyl-N-(2-methylprop-2-enyl)butanamide (CID 104940094) is (2R)-2-amino-3-methyl-N-(2-methylprop-2-enyl)butanamide.
What is the SMILES notation for (2R)-2-amino-3-methyl-N-(2-methylprop-2-enyl)butanamide?
The canonical SMILES for (2R)-2-amino-3-methyl-N-(2-methylprop-2-enyl)butanamide is C=C(C)CNC(=O)[C@H](N)C(C)C.
What is the InChIKey of (2R)-2-amino-3-methyl-N-(2-methylprop-2-enyl)butanamide?
The InChIKey is KLMZJNCAEKPFNA-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-6(2)5-11-9(12)8(10)7(3)4/h7-8H,1,5,10H2,2-4H3,(H,11,12)/t8-/m1/s1.
What are the key properties of (2R)-2-amino-3-methyl-N-(2-methylprop-2-enyl)butanamide?
(2R)-2-amino-3-methyl-N-(2-methylprop-2-enyl)butanamide has a molecular weight of 170.26 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-methyl-N-(2-methylprop-2-enyl)butanamide is sourced from PubChem (CID 104940094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).