(2S)-2-amino-N-ethyl-N-prop-2-enylbutanamide

C9H18N2O — CID 81425726

IUPAC(2S)-2-amino-N-ethyl-N-prop-2-enylbutanamide
SMILESC=CCN(CC)C(=O)[C@@H](N)CC
InChIInChI=1S/C9H18N2O/c1-4-7-11(6-3)9(12)8(10)5-2/h4,8H,1,5-7,10H2,2-3H3/t8-/m0/s1
InChIKeyGZGDZVOYDXOJRS-QMMMGPOBSA-N
MW170.26 g/mol
LogP0.76
Rot. Bonds5

About (2S)-2-amino-N-ethyl-N-prop-2-enylbutanamide

(2S)-2-amino-N-ethyl-N-prop-2-enylbutanamide (PubChem CID 81425726) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is (2S)-2-amino-N-ethyl-N-prop-2-enylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-ethyl-N-prop-2-enylbutanamide
PubChem CID81425726
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name(2S)-2-amino-N-ethyl-N-prop-2-enylbutanamide
SMILESC=CCN(CC)C(=O)[C@@H](N)CC
InChIInChI=1S/C9H18N2O/c1-4-7-11(6-3)9(12)8(10)5-2/h4,8H,1,5-7,10H2,2-3H3/t8-/m0/s1
InChIKeyGZGDZVOYDXOJRS-QMMMGPOBSA-N
XLogP0.76
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.76
H-Bond Donors ≤ 51
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-ethyl-4-methyl-N-prop-2-enylpentanamide
CID 81489014
2,2-dichloro-N-ethyl-N-prop-2-enylacetamide
CID 21403921
(2S)-2-amino-N-ethyl-N-propylbutanamide
CID 79025011
2-amino-4-methyl-N,N-bis(prop-2-enyl)pentanamide
CID 24700331
4-[ethyl(prop-2-enyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103499014
N-ethyl-3-methyl-N-prop-2-enyl-2-sulfanylbutanamide
CID 107033486
2-amino-3-methoxy-N,N-bis(prop-2-enyl)propanamide
CID 81081149
(2R)-2-amino-N-ethyl-2-phenyl-N-prop-2-enylacetamide
CID 81426075
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylbutanamide
CID 54869480
2-[[(2S)-2-aminopentanoyl]-prop-2-enylamino]acetic acid
CID 107570062
2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-ethylbutanamide
CID 43649681
2-amino-4-methylsulfanyl-N,N-bis(prop-2-enyl)butanamide
CID 76892115

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-ethyl-N-prop-2-enylbutanamide?
The IUPAC name of (2S)-2-amino-N-ethyl-N-prop-2-enylbutanamide (CID 81425726) is (2S)-2-amino-N-ethyl-N-prop-2-enylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-ethyl-N-prop-2-enylbutanamide?
The canonical SMILES for (2S)-2-amino-N-ethyl-N-prop-2-enylbutanamide is C=CCN(CC)C(=O)[C@@H](N)CC.
What is the InChIKey of (2S)-2-amino-N-ethyl-N-prop-2-enylbutanamide?
The InChIKey is GZGDZVOYDXOJRS-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H18N2O/c1-4-7-11(6-3)9(12)8(10)5-2/h4,8H,1,5-7,10H2,2-3H3/t8-/m0/s1.
What are the key properties of (2S)-2-amino-N-ethyl-N-prop-2-enylbutanamide?
(2S)-2-amino-N-ethyl-N-prop-2-enylbutanamide has a molecular weight of 170.26 g/mol, XLogP of 0.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-ethyl-N-prop-2-enylbutanamide is sourced from PubChem (CID 81425726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).