ethenyl 2-[(2-amino-3-methylbutanoyl)amino]acetate

C9H16N2O3 — CID 178083422

IUPACethenyl 2-[(2-amino-3-methylbutanoyl)amino]acetate
SMILESC=COC(=O)CNC(=O)C(N)C(C)C
InChIInChI=1S/C9H16N2O3/c1-4-14-7(12)5-11-9(13)8(10)6(2)3/h4,6,8H,1,5,10H2,2-3H3,(H,11,13)
InChIKeyHAGJEKYCQHAICR-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.23
Rot. Bonds5

About ethenyl 2-[(2-amino-3-methylbutanoyl)amino]acetate

ethenyl 2-[(2-amino-3-methylbutanoyl)amino]acetate (PubChem CID 178083422) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is ethenyl 2-[(2-amino-3-methylbutanoyl)amino]acetate.

Molecular Properties

Compound Nameethenyl 2-[(2-amino-3-methylbutanoyl)amino]acetate
PubChem CID178083422
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Nameethenyl 2-[(2-amino-3-methylbutanoyl)amino]acetate
SMILESC=COC(=O)CNC(=O)C(N)C(C)C
InChIInChI=1S/C9H16N2O3/c1-4-14-7(12)5-11-9(13)8(10)6(2)3/h4,6,8H,1,5,10H2,2-3H3,(H,11,13)
InChIKeyHAGJEKYCQHAICR-UHFFFAOYSA-N
XLogP-0.23
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-amino-3-methyl-N-(2-methylprop-2-enyl)butanamide
CID 104940094
2-amino-N-(2-chloroprop-2-enyl)-3-methylbutanamide
CID 115734359
2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetic acid
CID 6993111
(2S)-2-amino-N-but-3-enyl-3-methylbutanamide
CID 104861330
2-amino-N-(3,4-diamino-2,4-dioxobutyl)-3-methylbutanamide
CID 174452502
(2S)-2-amino-N-[2-[(3-hydroxy-2-methylbutan-2-yl)amino]-2-oxoethyl]-3-methylbutanamide
CID 104873662
2-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]amino]acetic acid
CID 7004847
(2S)-2-amino-N-[2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-oxoethyl]-3-methylbutanamide
CID 107852819
methyl 2-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]amino]propanoate
CID 82961827
(2S)-2-amino-N-[8-[[(2S)-2-amino-3-methylbutanoyl]amino]octyl]-3-methylbutanamide
CID 101248769
2-amino-3-methyl-N-(2-methylpropyl)butanamide
CID 19602466
(2R)-2-amino-3-methyl-N-(2-propan-2-yloxyethyl)butanamide
CID 104761131

Frequently Asked Questions

What is the IUPAC name of ethenyl 2-[(2-amino-3-methylbutanoyl)amino]acetate?
The IUPAC name of ethenyl 2-[(2-amino-3-methylbutanoyl)amino]acetate (CID 178083422) is ethenyl 2-[(2-amino-3-methylbutanoyl)amino]acetate.
What is the SMILES notation for ethenyl 2-[(2-amino-3-methylbutanoyl)amino]acetate?
The canonical SMILES for ethenyl 2-[(2-amino-3-methylbutanoyl)amino]acetate is C=COC(=O)CNC(=O)C(N)C(C)C.
What is the InChIKey of ethenyl 2-[(2-amino-3-methylbutanoyl)amino]acetate?
The InChIKey is HAGJEKYCQHAICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-4-14-7(12)5-11-9(13)8(10)6(2)3/h4,6,8H,1,5,10H2,2-3H3,(H,11,13).
What are the key properties of ethenyl 2-[(2-amino-3-methylbutanoyl)amino]acetate?
ethenyl 2-[(2-amino-3-methylbutanoyl)amino]acetate has a molecular weight of 200.24 g/mol, XLogP of -0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl 2-[(2-amino-3-methylbutanoyl)amino]acetate is sourced from PubChem (CID 178083422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).