N-[(2S)-3-(methylamino)but-3-en-2-yl]acetamide

C7H14N2O — CID 155733407

IUPACN-[(2S)-3-(methylamino)but-3-en-2-yl]acetamide
SMILESC=C(NC)[C@H](C)NC(C)=O
InChIInChI=1S/C7H14N2O/c1-5(8-4)6(2)9-7(3)10/h6,8H,1H2,2-4H3,(H,9,10)/t6-/m0/s1
InChIKeyDBSIHAXILZTODD-LURJTMIESA-N
MW142.20 g/mol
LogP0.24
Rot. Bonds3

About N-[(2S)-3-(methylamino)but-3-en-2-yl]acetamide

N-[(2S)-3-(methylamino)but-3-en-2-yl]acetamide (PubChem CID 155733407) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is N-[(2S)-3-(methylamino)but-3-en-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-3-(methylamino)but-3-en-2-yl]acetamide
PubChem CID155733407
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC NameN-[(2S)-3-(methylamino)but-3-en-2-yl]acetamide
SMILESC=C(NC)[C@H](C)NC(C)=O
InChIInChI=1S/C7H14N2O/c1-5(8-4)6(2)9-7(3)10/h6,8H,1H2,2-4H3,(H,9,10)/t6-/m0/s1
InChIKeyDBSIHAXILZTODD-LURJTMIESA-N
XLogP0.24
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(prop-1-en-2-ylamino)ethyl]acetamide
CID 21030566
1-(2-Methyl-3-methylidenepiperazin-1-yl)ethanone
CID 68806926
2-amino-N-propan-2-ylprop-2-enamide
CID 88012142
2-amino-N-(3-methylbut-3-en-2-yl)acetamide
CID 88288960
2-(But-1-en-2-ylamino)propanamide
CID 89082957
N-[2-[[(Z)-2-aminobut-1-enyl]amino]ethyl]acetamide
CID 90382326
(2S,5S,8S)-2,5,8-trimethyl-9-methylidene-1,4,7,10-tetrazacyclotridecane-3,6-dione
CID 90429235
N-(2-diazenylprop-2-enyl)acetamide
CID 90766582
2,5-Dimethyl-3-methylidene-1,2-dihydropyrazin-6-one
CID 90868264
N-[3-(dimethylamino)but-3-en-2-yl]acetamide
CID 123435703
2-amino-N-propylbut-3-enamide
CID 123617152
2-amino-N-(4-aminopent-4-enyl)acetamide
CID 126589643

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-(methylamino)but-3-en-2-yl]acetamide?
The IUPAC name of N-[(2S)-3-(methylamino)but-3-en-2-yl]acetamide (CID 155733407) is N-[(2S)-3-(methylamino)but-3-en-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-3-(methylamino)but-3-en-2-yl]acetamide?
The canonical SMILES for N-[(2S)-3-(methylamino)but-3-en-2-yl]acetamide is C=C(NC)[C@H](C)NC(C)=O.
What is the InChIKey of N-[(2S)-3-(methylamino)but-3-en-2-yl]acetamide?
The InChIKey is DBSIHAXILZTODD-LURJTMIESA-N. The full InChI is InChI=1S/C7H14N2O/c1-5(8-4)6(2)9-7(3)10/h6,8H,1H2,2-4H3,(H,9,10)/t6-/m0/s1.
What are the key properties of N-[(2S)-3-(methylamino)but-3-en-2-yl]acetamide?
N-[(2S)-3-(methylamino)but-3-en-2-yl]acetamide has a molecular weight of 142.20 g/mol, XLogP of 0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-(methylamino)but-3-en-2-yl]acetamide is sourced from PubChem (CID 155733407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).