ethyl 3-[(2-amino-3-methylpentanoyl)amino]-2-methylpropanoate

C12H24N2O3 — CID 119789263

IUPACethyl 3-[(2-amino-3-methylpentanoyl)amino]-2-methylpropanoate
SMILESCCOC(=O)C(C)CNC(=O)C(N)C(C)CC
InChIInChI=1S/C12H24N2O3/c1-5-8(3)10(13)11(15)14-7-9(4)12(16)17-6-2/h8-10H,5-7,13H2,1-4H3,(H,14,15)
InChIKeyZSLKRMMPPXSNKI-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.68
Rot. Bonds7

About ethyl 3-[(2-amino-3-methylpentanoyl)amino]-2-methylpropanoate

ethyl 3-[(2-amino-3-methylpentanoyl)amino]-2-methylpropanoate (PubChem CID 119789263) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is ethyl 3-[(2-amino-3-methylpentanoyl)amino]-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 3-[(2-amino-3-methylpentanoyl)amino]-2-methylpropanoate
PubChem CID119789263
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Nameethyl 3-[(2-amino-3-methylpentanoyl)amino]-2-methylpropanoate
SMILESCCOC(=O)C(C)CNC(=O)C(N)C(C)CC
InChIInChI=1S/C12H24N2O3/c1-5-8(3)10(13)11(15)14-7-9(4)12(16)17-6-2/h8-10H,5-7,13H2,1-4H3,(H,14,15)
InChIKeyZSLKRMMPPXSNKI-UHFFFAOYSA-N
XLogP0.68
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-2-methylpropanoic acid
CID 62669365
(2S,3S)-2-amino-N-[(2R)-2-hydroxypropyl]-3-methylpentanamide
CID 93083392
2-amino-3-methyl-N-(2-methylbutyl)pentanamide
CID 62693739
2-amino-N-(2,2-difluoroethyl)-3-methylpentanamide
CID 81489680
(2S)-2-amino-N-ethyl-3-methylpentanamide
CID 61172974
(2S,3S)-2-amino-N-(2-hydroxy-3-methylbutyl)-3-methylpentanamide
CID 103950762
2-amino-N-(2-cyclopropylpropyl)-3-methylpentanamide
CID 115738557
(2S)-2-amino-N-(3-ethyl-2-hydroxypentyl)-3-methylpentanamide
CID 103833109
2-[[[(2S,3S)-2-amino-3-methylpentanoyl]amino]methyl]butanoic acid
CID 65224036
(2S)-3-[[(2S)-2-amino-3-methylpentanoyl]amino]-2-hydroxypropanoic acid
CID 107835948
ethyl (2S)-3-acetamido-2-methylpropanoate
CID 15606037
(2S)-2-amino-3-methyl-N-pentylpentanamide
CID 22690936

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(2-amino-3-methylpentanoyl)amino]-2-methylpropanoate?
The IUPAC name of ethyl 3-[(2-amino-3-methylpentanoyl)amino]-2-methylpropanoate (CID 119789263) is ethyl 3-[(2-amino-3-methylpentanoyl)amino]-2-methylpropanoate.
What is the SMILES notation for ethyl 3-[(2-amino-3-methylpentanoyl)amino]-2-methylpropanoate?
The canonical SMILES for ethyl 3-[(2-amino-3-methylpentanoyl)amino]-2-methylpropanoate is CCOC(=O)C(C)CNC(=O)C(N)C(C)CC.
What is the InChIKey of ethyl 3-[(2-amino-3-methylpentanoyl)amino]-2-methylpropanoate?
The InChIKey is ZSLKRMMPPXSNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-5-8(3)10(13)11(15)14-7-9(4)12(16)17-6-2/h8-10H,5-7,13H2,1-4H3,(H,14,15).
What are the key properties of ethyl 3-[(2-amino-3-methylpentanoyl)amino]-2-methylpropanoate?
ethyl 3-[(2-amino-3-methylpentanoyl)amino]-2-methylpropanoate has a molecular weight of 244.33 g/mol, XLogP of 0.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(2-amino-3-methylpentanoyl)amino]-2-methylpropanoate is sourced from PubChem (CID 119789263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).