ethyl 2-[(2-amino-2-methylbutanoyl)amino]propanoate

C10H20N2O3 — CID 79805903

IUPACethyl 2-[(2-amino-2-methylbutanoyl)amino]propanoate
SMILESCCOC(=O)C(C)NC(=O)C(C)(N)CC
InChIInChI=1S/C10H20N2O3/c1-5-10(4,11)9(14)12-7(3)8(13)15-6-2/h7H,5-6,11H2,1-4H3,(H,12,14)
InChIKeyNOKMSDXTJDOSSF-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.18
Rot. Bonds5

About ethyl 2-[(2-amino-2-methylbutanoyl)amino]propanoate

ethyl 2-[(2-amino-2-methylbutanoyl)amino]propanoate (PubChem CID 79805903) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is ethyl 2-[(2-amino-2-methylbutanoyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[(2-amino-2-methylbutanoyl)amino]propanoate
PubChem CID79805903
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Nameethyl 2-[(2-amino-2-methylbutanoyl)amino]propanoate
SMILESCCOC(=O)C(C)NC(=O)C(C)(N)CC
InChIInChI=1S/C10H20N2O3/c1-5-10(4,11)9(14)12-7(3)8(13)15-6-2/h7H,5-6,11H2,1-4H3,(H,12,14)
InChIKeyNOKMSDXTJDOSSF-UHFFFAOYSA-N
XLogP0.18
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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

methyl (2S)-2-[(2-amino-2-methylbutanoyl)amino]propanoate
CID 79797109
ethyl 2-[(2-amino-2-methylpropanoyl)amino]propanoate
CID 61498902
ethyl 2-[(2,2,2-trifluoroacetyl)amino]propanoate
CID 14778327
(1-ethoxy-1-oxopropan-2-yl)carbamic acid
CID 58928687
ethyl (2S)-2-acetamidopropanoate
CID 11805045
2-amino-N-(4-methoxybutan-2-yl)-2-methylbutanamide
CID 79811923
2-[(2-amino-2-methylpentanoyl)amino]propanoic acid
CID 61157718
2-[(2-amino-2-methylbutanoyl)amino]pentanoic acid
CID 79805263
2-[(2-amino-2-methylbutanoyl)amino]-3-hydroxybutanoic acid
CID 79805776
3-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]-3-methylbutanoic acid
CID 64701267
ethyl 2-amino-2-methylbutanoate;hydrochloride
CID 175342051
ethyl 2-(carbamothioylamino)propanoate
CID 61498979

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-amino-2-methylbutanoyl)amino]propanoate?
The IUPAC name of ethyl 2-[(2-amino-2-methylbutanoyl)amino]propanoate (CID 79805903) is ethyl 2-[(2-amino-2-methylbutanoyl)amino]propanoate.
What is the SMILES notation for ethyl 2-[(2-amino-2-methylbutanoyl)amino]propanoate?
The canonical SMILES for ethyl 2-[(2-amino-2-methylbutanoyl)amino]propanoate is CCOC(=O)C(C)NC(=O)C(C)(N)CC.
What is the InChIKey of ethyl 2-[(2-amino-2-methylbutanoyl)amino]propanoate?
The InChIKey is NOKMSDXTJDOSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-5-10(4,11)9(14)12-7(3)8(13)15-6-2/h7H,5-6,11H2,1-4H3,(H,12,14).
What are the key properties of ethyl 2-[(2-amino-2-methylbutanoyl)amino]propanoate?
ethyl 2-[(2-amino-2-methylbutanoyl)amino]propanoate has a molecular weight of 216.28 g/mol, XLogP of 0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-amino-2-methylbutanoyl)amino]propanoate is sourced from PubChem (CID 79805903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).