(2S)-2-acetamido-N-prop-2-enylbutanediamide

C9H15N3O3 — CID 146035933

IUPAC(2S)-2-acetamido-N-prop-2-enylbutanediamide
SMILESC=CCNC(=O)[C@H](CC(N)=O)NC(C)=O
InChIInChI=1S/C9H15N3O3/c1-3-4-11-9(15)7(5-8(10)14)12-6(2)13/h3,7H,1,4-5H2,2H3,(H2,10,14)(H,11,15)(H,12,13)/t7-/m0/s1
InChIKeySLTSADPWEPQRIY-ZETCQYMHSA-N
MW213.24 g/mol
LogP-1.33
Rot. Bonds6

About (2S)-2-acetamido-N-prop-2-enylbutanediamide

(2S)-2-acetamido-N-prop-2-enylbutanediamide (PubChem CID 146035933) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is (2S)-2-acetamido-N-prop-2-enylbutanediamide.

Molecular Properties

Compound Name(2S)-2-acetamido-N-prop-2-enylbutanediamide
PubChem CID146035933
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Name(2S)-2-acetamido-N-prop-2-enylbutanediamide
SMILESC=CCNC(=O)[C@H](CC(N)=O)NC(C)=O
InChIInChI=1S/C9H15N3O3/c1-3-4-11-9(15)7(5-8(10)14)12-6(2)13/h3,7H,1,4-5H2,2H3,(H2,10,14)(H,11,15)(H,12,13)/t7-/m0/s1
InChIKeySLTSADPWEPQRIY-ZETCQYMHSA-N
XLogP-1.33
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 5-1.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-(1-methyl-3-oxopiperazin-2-yl)-N-(2-methylprop-2-en-1-yl)acetamide
CID 16191834
(2S)-2-acetamido-N-prop-2-enylpentanediamide
CID 165430627
N-Acetyl-L-asparagine methylamide
CID 57939456
N-propyl-2-(propylamino)butanediamide
CID 47002682
(2S)-2-acetamido-N-(2-sulfanylprop-2-enyl)butanediamide
CID 146019225
CID 139245380
CID 139245380
2-[4-(2-fluoroethyl)-3-oxopiperazin-2-yl]-N,N-bis(prop-2-enyl)acetamide
CID 110283338
2-[4-(2-fluoroethyl)-3-oxopiperazin-2-yl]-N-prop-2-enylacetamide
CID 110283386
N,N-diallyl-2-[1-(2,2-dimethylpropyl)-3-oxo-2-piperazinyl]acetamide
CID 45214691
(S)-3-(allylamino)-1-methyl-2-pyrrolidinone
CID 95365704
(2S)-2-amino-N-prop-2-enylbutanediamide
CID 18665391
2-Acetamidobutanediamide
CID 23273577

Frequently Asked Questions

What is the IUPAC name of (2S)-2-acetamido-N-prop-2-enylbutanediamide?
The IUPAC name of (2S)-2-acetamido-N-prop-2-enylbutanediamide (CID 146035933) is (2S)-2-acetamido-N-prop-2-enylbutanediamide.
What is the SMILES notation for (2S)-2-acetamido-N-prop-2-enylbutanediamide?
The canonical SMILES for (2S)-2-acetamido-N-prop-2-enylbutanediamide is C=CCNC(=O)[C@H](CC(N)=O)NC(C)=O.
What is the InChIKey of (2S)-2-acetamido-N-prop-2-enylbutanediamide?
The InChIKey is SLTSADPWEPQRIY-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-3-4-11-9(15)7(5-8(10)14)12-6(2)13/h3,7H,1,4-5H2,2H3,(H2,10,14)(H,11,15)(H,12,13)/t7-/m0/s1.
What are the key properties of (2S)-2-acetamido-N-prop-2-enylbutanediamide?
(2S)-2-acetamido-N-prop-2-enylbutanediamide has a molecular weight of 213.24 g/mol, XLogP of -1.33, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-acetamido-N-prop-2-enylbutanediamide is sourced from PubChem (CID 146035933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).