ethyl 2-[[4-(methylamino)-4-oxobutyl]amino]propanoate

C10H20N2O3 — CID 63890128

IUPACethyl 2-[[4-(methylamino)-4-oxobutyl]amino]propanoate
SMILESCCOC(=O)C(C)NCCCC(=O)NC
InChIInChI=1S/C10H20N2O3/c1-4-15-10(14)8(2)12-7-5-6-9(13)11-3/h8,12H,4-7H2,1-3H3,(H,11,13)
InChIKeyDCLKPHYVGADNAX-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.05
Rot. Bonds7

About ethyl 2-[[4-(methylamino)-4-oxobutyl]amino]propanoate

ethyl 2-[[4-(methylamino)-4-oxobutyl]amino]propanoate (PubChem CID 63890128) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is ethyl 2-[[4-(methylamino)-4-oxobutyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[[4-(methylamino)-4-oxobutyl]amino]propanoate
PubChem CID63890128
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Nameethyl 2-[[4-(methylamino)-4-oxobutyl]amino]propanoate
SMILESCCOC(=O)C(C)NCCCC(=O)NC
InChIInChI=1S/C10H20N2O3/c1-4-15-10(14)8(2)12-7-5-6-9(13)11-3/h8,12H,4-7H2,1-3H3,(H,11,13)
InChIKeyDCLKPHYVGADNAX-UHFFFAOYSA-N
XLogP0.05
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(heptylamino)propanoate
CID 61498650
ethyl 2-(hexylamino)propanoate
CID 13388952
N-methyl-4-(propan-2-ylamino)butanamide
CID 21054795
5-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]pentanoic acid
CID 87941374
ethyl 4-[[1-(methylamino)-1-oxopropan-2-yl]amino]butanoate
CID 60671956
ethyl (2R)-2-(3-chloropropylamino)propanoate
CID 58382925
ethyl 4-[(1-methoxy-1-oxopropan-2-yl)amino]butanoate
CID 64580670
ethyl 2-(4,4,4-trifluorobutylamino)propanoate
CID 79040997
ethyl 2-(pent-4-ynylamino)propanoate
CID 115664090
methyl 4-methyl-2-[[4-(methylamino)-4-oxobutyl]amino]pentanoate
CID 63892059
CID 172703702
CID 172703702
ethyl 2-(3-methylbut-3-enylamino)propanoate
CID 114472161

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[4-(methylamino)-4-oxobutyl]amino]propanoate?
The IUPAC name of ethyl 2-[[4-(methylamino)-4-oxobutyl]amino]propanoate (CID 63890128) is ethyl 2-[[4-(methylamino)-4-oxobutyl]amino]propanoate.
What is the SMILES notation for ethyl 2-[[4-(methylamino)-4-oxobutyl]amino]propanoate?
The canonical SMILES for ethyl 2-[[4-(methylamino)-4-oxobutyl]amino]propanoate is CCOC(=O)C(C)NCCCC(=O)NC.
What is the InChIKey of ethyl 2-[[4-(methylamino)-4-oxobutyl]amino]propanoate?
The InChIKey is DCLKPHYVGADNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-4-15-10(14)8(2)12-7-5-6-9(13)11-3/h8,12H,4-7H2,1-3H3,(H,11,13).
What are the key properties of ethyl 2-[[4-(methylamino)-4-oxobutyl]amino]propanoate?
ethyl 2-[[4-(methylamino)-4-oxobutyl]amino]propanoate has a molecular weight of 216.28 g/mol, XLogP of 0.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[4-(methylamino)-4-oxobutyl]amino]propanoate is sourced from PubChem (CID 63890128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).