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

C9H18N2O3 — CID 61498902

IUPACethyl 2-[(2-amino-2-methylpropanoyl)amino]propanoate
SMILESCCOC(=O)C(C)NC(=O)C(C)(C)N
InChIInChI=1S/C9H18N2O3/c1-5-14-7(12)6(2)11-8(13)9(3,4)10/h6H,5,10H2,1-4H3,(H,11,13)
InChIKeyWHNBDMDOUUNXEC-UHFFFAOYSA-N
MW202.25 g/mol
LogP-0.21
Rot. Bonds4

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

ethyl 2-[(2-amino-2-methylpropanoyl)amino]propanoate (PubChem CID 61498902) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is ethyl 2-[(2-amino-2-methylpropanoyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[(2-amino-2-methylpropanoyl)amino]propanoate
PubChem CID61498902
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Nameethyl 2-[(2-amino-2-methylpropanoyl)amino]propanoate
SMILESCCOC(=O)C(C)NC(=O)C(C)(C)N
InChIInChI=1S/C9H18N2O3/c1-5-14-7(12)6(2)11-8(13)9(3,4)10/h6H,5,10H2,1-4H3,(H,11,13)
InChIKeyWHNBDMDOUUNXEC-UHFFFAOYSA-N
XLogP-0.21
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(2-amino-2-methylbutanoyl)amino]propanoate
CID 79805903
methyl (2S)-2-[(2-amino-2-methylpropanoyl)amino]propanoate
CID 61265011
ethyl 2-[(2,2,2-trifluoroacetyl)amino]propanoate
CID 14778327
ethyl (2S)-2-[(2-amino-2-methylpropanoyl)amino]-3-hydroxypropanoate
CID 59740172
(1-ethoxy-1-oxopropan-2-yl)carbamic acid
CID 58928687
ethyl (2S)-2-acetamidopropanoate
CID 11805045
(2S)-2-[(2-amino-2-methylpropanoyl)amino]propanoic acid
CID 54118919
ethyl 2-(carbamothioylamino)propanoate
CID 61498979
2-amino-N-heptan-2-yl-2-methylpropanamide
CID 61264408
methyl (2S)-2-[(2-amino-2-methylbutanoyl)amino]propanoate
CID 79797109
ethyl (2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoate
CID 10913206
(2R)-2-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]-3,3-dimethylbutanoic acid
CID 103927781

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-amino-2-methylpropanoyl)amino]propanoate?
The IUPAC name of ethyl 2-[(2-amino-2-methylpropanoyl)amino]propanoate (CID 61498902) is ethyl 2-[(2-amino-2-methylpropanoyl)amino]propanoate.
What is the SMILES notation for ethyl 2-[(2-amino-2-methylpropanoyl)amino]propanoate?
The canonical SMILES for ethyl 2-[(2-amino-2-methylpropanoyl)amino]propanoate is CCOC(=O)C(C)NC(=O)C(C)(C)N.
What is the InChIKey of ethyl 2-[(2-amino-2-methylpropanoyl)amino]propanoate?
The InChIKey is WHNBDMDOUUNXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-5-14-7(12)6(2)11-8(13)9(3,4)10/h6H,5,10H2,1-4H3,(H,11,13).
What are the key properties of ethyl 2-[(2-amino-2-methylpropanoyl)amino]propanoate?
ethyl 2-[(2-amino-2-methylpropanoyl)amino]propanoate has a molecular weight of 202.25 g/mol, XLogP of -0.21, 4 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-methylpropanoyl)amino]propanoate is sourced from PubChem (CID 61498902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).