ethyl 2-(2-methylpropanoylamino)propanoate

C9H17NO3 — CID 22954023

IUPACethyl 2-(2-methylpropanoylamino)propanoate
SMILESCCOC(=O)C(C)NC(=O)C(C)C
InChIInChI=1S/C9H17NO3/c1-5-13-9(12)7(4)10-8(11)6(2)3/h6-7H,5H2,1-4H3,(H,10,11)
InChIKeyKYQUDOOSUUQSPX-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.71
Rot. Bonds4

About ethyl 2-(2-methylpropanoylamino)propanoate

ethyl 2-(2-methylpropanoylamino)propanoate (PubChem CID 22954023) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is ethyl 2-(2-methylpropanoylamino)propanoate.

Molecular Properties

Compound Nameethyl 2-(2-methylpropanoylamino)propanoate
PubChem CID22954023
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Nameethyl 2-(2-methylpropanoylamino)propanoate
SMILESCCOC(=O)C(C)NC(=O)C(C)C
InChIInChI=1S/C9H17NO3/c1-5-13-9(12)7(4)10-8(11)6(2)3/h6-7H,5H2,1-4H3,(H,10,11)
InChIKeyKYQUDOOSUUQSPX-UHFFFAOYSA-N
XLogP0.71
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-acetylvalinate
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Methyl N-isovalerylglycine
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Isobutyrylglycine, methyl ester
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CID 6951030
N-isovaleryl-L-homoserine lactone
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Methyl N-acetyl-L-valinate
CID 638154
methyl (2S)-2-acetamidobutanoate
CID 11084154
ethyl N-acetyl-l-alaninate
CID 11805045
ethyl (2S)-2-acetamido-3-methylbutanoate
CID 12258762
N-acetylvaline isopropyl ester
CID 14179079
l-Valine, n-heptafluorobutyryl-, propyl ester
CID 622604
Methyl 2-acetamidopropanoate
CID 520278

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-methylpropanoylamino)propanoate?
The IUPAC name of ethyl 2-(2-methylpropanoylamino)propanoate (CID 22954023) is ethyl 2-(2-methylpropanoylamino)propanoate.
What is the SMILES notation for ethyl 2-(2-methylpropanoylamino)propanoate?
The canonical SMILES for ethyl 2-(2-methylpropanoylamino)propanoate is CCOC(=O)C(C)NC(=O)C(C)C.
What is the InChIKey of ethyl 2-(2-methylpropanoylamino)propanoate?
The InChIKey is KYQUDOOSUUQSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-5-13-9(12)7(4)10-8(11)6(2)3/h6-7H,5H2,1-4H3,(H,10,11).
What are the key properties of ethyl 2-(2-methylpropanoylamino)propanoate?
ethyl 2-(2-methylpropanoylamino)propanoate has a molecular weight of 187.24 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-methylpropanoylamino)propanoate is sourced from PubChem (CID 22954023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).