ethyl 2-[(3-amino-2-methyl-3-oxopropyl)amino]propanoate

C9H18N2O3 — CID 61498686

IUPACethyl 2-[(3-amino-2-methyl-3-oxopropyl)amino]propanoate
SMILESCCOC(=O)C(C)NCC(C)C(N)=O
InChIInChI=1S/C9H18N2O3/c1-4-14-9(13)7(3)11-5-6(2)8(10)12/h6-7,11H,4-5H2,1-3H3,(H2,10,12)
InChIKeyOCRBDAMKWJSASD-UHFFFAOYSA-N
MW202.25 g/mol
LogP-0.35
Rot. Bonds6

About ethyl 2-[(3-amino-2-methyl-3-oxopropyl)amino]propanoate

ethyl 2-[(3-amino-2-methyl-3-oxopropyl)amino]propanoate (PubChem CID 61498686) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is ethyl 2-[(3-amino-2-methyl-3-oxopropyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[(3-amino-2-methyl-3-oxopropyl)amino]propanoate
PubChem CID61498686
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Nameethyl 2-[(3-amino-2-methyl-3-oxopropyl)amino]propanoate
SMILESCCOC(=O)C(C)NCC(C)C(N)=O
InChIInChI=1S/C9H18N2O3/c1-4-14-9(13)7(3)11-5-6(2)8(10)12/h6-7,11H,4-5H2,1-3H3,(H2,10,12)
InChIKeyOCRBDAMKWJSASD-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 2-[(3-methyl-2-propan-2-ylbutyl)amino]propanoate
CID 102905223
ethyl 2-(2-ethoxypropylamino)propanoate
CID 115663940
3-(3-ethylpentan-2-ylamino)-2-methylpropanamide
CID 63839004
ethyl 2-[(2-methyl-3-methylsulfanylpropyl)amino]propanoate
CID 63964742
CID 172703702
CID 172703702
ethyl 2-[2-(2-hydroxyethyl)pentylamino]propanoate
CID 106115101
ethyl 3-(ethoxyamino)-2-methylpropanoate
CID 64974924
ethyl 2-(heptylamino)propanoate
CID 61498650
ethyl 2-(hexylamino)propanoate
CID 13388952
ethyl (2S)-2-(2-ethoxyethylamino)propanoate
CID 88726187
3-(heptan-2-ylamino)-2-methylpropanamide
CID 61464618
ethyl 3-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-2-methylpropanoate
CID 106160496

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-amino-2-methyl-3-oxopropyl)amino]propanoate?
The IUPAC name of ethyl 2-[(3-amino-2-methyl-3-oxopropyl)amino]propanoate (CID 61498686) is ethyl 2-[(3-amino-2-methyl-3-oxopropyl)amino]propanoate.
What is the SMILES notation for ethyl 2-[(3-amino-2-methyl-3-oxopropyl)amino]propanoate?
The canonical SMILES for ethyl 2-[(3-amino-2-methyl-3-oxopropyl)amino]propanoate is CCOC(=O)C(C)NCC(C)C(N)=O.
What is the InChIKey of ethyl 2-[(3-amino-2-methyl-3-oxopropyl)amino]propanoate?
The InChIKey is OCRBDAMKWJSASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-4-14-9(13)7(3)11-5-6(2)8(10)12/h6-7,11H,4-5H2,1-3H3,(H2,10,12).
What are the key properties of ethyl 2-[(3-amino-2-methyl-3-oxopropyl)amino]propanoate?
ethyl 2-[(3-amino-2-methyl-3-oxopropyl)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 2-[(3-amino-2-methyl-3-oxopropyl)amino]propanoate is sourced from PubChem (CID 61498686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).