ethyl 3-[(3-amino-2-methylpropanoyl)amino]propanoate

C9H18N2O3 — CID 62668583

IUPACethyl 3-[(3-amino-2-methylpropanoyl)amino]propanoate
SMILESCCOC(=O)CCNC(=O)C(C)CN
InChIInChI=1S/C9H18N2O3/c1-3-14-8(12)4-5-11-9(13)7(2)6-10/h7H,3-6,10H2,1-2H3,(H,11,13)
InChIKeyWNFXHSJXAJUUEU-UHFFFAOYSA-N
MW202.25 g/mol
LogP-0.35
Rot. Bonds6

About ethyl 3-[(3-amino-2-methylpropanoyl)amino]propanoate

ethyl 3-[(3-amino-2-methylpropanoyl)amino]propanoate (PubChem CID 62668583) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is ethyl 3-[(3-amino-2-methylpropanoyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[(3-amino-2-methylpropanoyl)amino]propanoate
PubChem CID62668583
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Nameethyl 3-[(3-amino-2-methylpropanoyl)amino]propanoate
SMILESCCOC(=O)CCNC(=O)C(C)CN
InChIInChI=1S/C9H18N2O3/c1-3-14-8(12)4-5-11-9(13)7(2)6-10/h7H,3-6,10H2,1-2H3,(H,11,13)
InChIKeyWNFXHSJXAJUUEU-UHFFFAOYSA-N
XLogP-0.35
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-(2-propylpentanoylamino)propanoate
CID 23363631
ethyl 3-[(5-amino-4-methylpentanoyl)amino]propanoate
CID 82011532
3-amino-N-(2-ethoxy-2-methylpropyl)-2-methylpropanamide
CID 114941574
ethyl 4-[2-(aminomethyl)butanoylamino]butanoate
CID 65228483
(2S)-3-amino-N-hexyl-2-methylpropanamide
CID 166872434
ethyl 3-[[1-(methylamino)-1-oxopropan-2-yl]amino]propanoate
CID 61464453
ethyl 4-(2-chloropropanoylamino)butanoate
CID 64576746
ethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 15933116
ethyl 3-(2-hydroxypropylamino)propanoate
CID 43389838
methyl 2-[(3-ethoxy-3-oxopropyl)amino]propanoate
CID 61499632
3-amino-N-(2-ethyl-2-hydroxybutyl)-2-methylpropanamide
CID 65106575
ethyl 3-(methylamino)propanoate;methane
CID 159702101

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(3-amino-2-methylpropanoyl)amino]propanoate?
The IUPAC name of ethyl 3-[(3-amino-2-methylpropanoyl)amino]propanoate (CID 62668583) is ethyl 3-[(3-amino-2-methylpropanoyl)amino]propanoate.
What is the SMILES notation for ethyl 3-[(3-amino-2-methylpropanoyl)amino]propanoate?
The canonical SMILES for ethyl 3-[(3-amino-2-methylpropanoyl)amino]propanoate is CCOC(=O)CCNC(=O)C(C)CN.
What is the InChIKey of ethyl 3-[(3-amino-2-methylpropanoyl)amino]propanoate?
The InChIKey is WNFXHSJXAJUUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-3-14-8(12)4-5-11-9(13)7(2)6-10/h7H,3-6,10H2,1-2H3,(H,11,13).
What are the key properties of ethyl 3-[(3-amino-2-methylpropanoyl)amino]propanoate?
ethyl 3-[(3-amino-2-methylpropanoyl)amino]propanoate has a molecular weight of 202.25 g/mol, XLogP of -0.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(3-amino-2-methylpropanoyl)amino]propanoate is sourced from PubChem (CID 62668583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).