ethyl 4-amino-3-(butan-2-ylamino)-4-oxobutanoate

C10H20N2O3 — CID 66432765

IUPACethyl 4-amino-3-(butan-2-ylamino)-4-oxobutanoate
SMILESCCOC(=O)CC(NC(C)CC)C(N)=O
InChIInChI=1S/C10H20N2O3/c1-4-7(3)12-8(10(11)14)6-9(13)15-5-2/h7-8,12H,4-6H2,1-3H3,(H2,11,14)
InChIKeyIZKZHMFTBKQNSB-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.18
Rot. Bonds7

About ethyl 4-amino-3-(butan-2-ylamino)-4-oxobutanoate

ethyl 4-amino-3-(butan-2-ylamino)-4-oxobutanoate (PubChem CID 66432765) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is ethyl 4-amino-3-(butan-2-ylamino)-4-oxobutanoate.

Molecular Properties

Compound Nameethyl 4-amino-3-(butan-2-ylamino)-4-oxobutanoate
PubChem CID66432765
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Nameethyl 4-amino-3-(butan-2-ylamino)-4-oxobutanoate
SMILESCCOC(=O)CC(NC(C)CC)C(N)=O
InChIInChI=1S/C10H20N2O3/c1-4-7(3)12-8(10(11)14)6-9(13)15-5-2/h7-8,12H,4-6H2,1-3H3,(H2,11,14)
InChIKeyIZKZHMFTBKQNSB-UHFFFAOYSA-N
XLogP0.18
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(butan-2-ylamino)-N',N'-dimethylbutanediamide
CID 66431267
1-O-butyl 4-O-ethyl 2-(butan-2-ylamino)butanedioate
CID 10635994
2-(butan-2-ylamino)-4-oxo-4-pyrrolidin-1-ylbutanamide
CID 66431515
ethyl 3-[(4-ethoxy-4-oxobutan-2-yl)amino]butanoate
CID 121011286
2-(butan-2-ylamino)-N'-cyclopropylbutanediamide
CID 66431014
ethyl 6-amino-3,4-dimethyl-6-oxohexanoate
CID 59188853
(4S)-5-amino-4-(butan-2-ylamino)-5-oxopentanoic acid
CID 87360410
4-O-cyclohexyl 1-O-ethyl 2-(butan-2-ylamino)butanedioate
CID 10804113
6-amino-2-(butan-2-ylamino)hexanamide
CID 129101574
2-(propan-2-ylamino)butanediamide
CID 66427979
4-O-[[4-[[3-(butan-2-ylamino)-4-methoxy-4-oxobutanoyl]oxymethyl]cyclohexyl]methyl] 1-O-methyl 2-(butan-2-ylamino)butanedioate
CID 58785273
3-(butan-2-ylamino)-4-oxopentanoic acid
CID 82322638

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-3-(butan-2-ylamino)-4-oxobutanoate?
The IUPAC name of ethyl 4-amino-3-(butan-2-ylamino)-4-oxobutanoate (CID 66432765) is ethyl 4-amino-3-(butan-2-ylamino)-4-oxobutanoate.
What is the SMILES notation for ethyl 4-amino-3-(butan-2-ylamino)-4-oxobutanoate?
The canonical SMILES for ethyl 4-amino-3-(butan-2-ylamino)-4-oxobutanoate is CCOC(=O)CC(NC(C)CC)C(N)=O.
What is the InChIKey of ethyl 4-amino-3-(butan-2-ylamino)-4-oxobutanoate?
The InChIKey is IZKZHMFTBKQNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-4-7(3)12-8(10(11)14)6-9(13)15-5-2/h7-8,12H,4-6H2,1-3H3,(H2,11,14).
What are the key properties of ethyl 4-amino-3-(butan-2-ylamino)-4-oxobutanoate?
ethyl 4-amino-3-(butan-2-ylamino)-4-oxobutanoate has a molecular weight of 216.28 g/mol, XLogP of 0.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-3-(butan-2-ylamino)-4-oxobutanoate is sourced from PubChem (CID 66432765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).