methyl (2S)-2-(3-ethoxypropylcarbamoylamino)propanoate

C10H20N2O4 — CID 5389733

IUPACmethyl (2S)-2-(3-ethoxypropylcarbamoylamino)propanoate
SMILESCCOCCCNC(=O)N[C@@H](C)C(=O)OC
InChIInChI=1S/C10H20N2O4/c1-4-16-7-5-6-11-10(14)12-8(2)9(13)15-3/h8H,4-7H2,1-3H3,(H2,11,12,14)/t8-/m0/s1
InChIKeyGOJZPUTWCFDBFE-QMMMGPOBSA-N
MW232.28 g/mol
LogP0.27
Rot. Bonds7

About methyl (2S)-2-(3-ethoxypropylcarbamoylamino)propanoate

methyl (2S)-2-(3-ethoxypropylcarbamoylamino)propanoate (PubChem CID 5389733) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is methyl (2S)-2-(3-ethoxypropylcarbamoylamino)propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-(3-ethoxypropylcarbamoylamino)propanoate
PubChem CID5389733
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Namemethyl (2S)-2-(3-ethoxypropylcarbamoylamino)propanoate
SMILESCCOCCCNC(=O)N[C@@H](C)C(=O)OC
InChIInChI=1S/C10H20N2O4/c1-4-16-7-5-6-11-10(14)12-8(2)9(13)15-3/h8H,4-7H2,1-3H3,(H2,11,12,14)/t8-/m0/s1
InChIKeyGOJZPUTWCFDBFE-QMMMGPOBSA-N
XLogP0.27
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.27
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

Methyl 2-[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]propanoate
CID 12475046
Ethyl 2-{[(2-ethoxy-2-oxoethyl)carbamoyl]amino}acetate
CID 251730
(S)-methyl 2-(3-(3-butoxypropyl)ureido)-3-methylbutanoate
CID 664264
1-Butyl-3-(2-oxooxolan-3-yl)urea
CID 15981490
1-(2-Oxooxolan-3-yl)-3-pentylurea
CID 177378558
Methyl 2-(3-isopropylureido)acetate
CID 43409327
Ethyl 2-(cyclohexylcarbamoylamino)acetate
CID 1756877
Diethyl 2-((((2-ethoxy-1-(ethoxycarbonyl)-2-oxoethyl)amino)carbonyl)amino)malonate
CID 381461
Diethyl 2-(ethylcarbamoylamino)propanedioate
CID 295907
Diethyl 2-(methylcarbamoylamino)propanedioate
CID 295908
Ethyl N'-isopropylureidoacetate
CID 541544
diethyl (2S)-2-[[(2S)-1-methoxy-1-oxopropan-2-yl]carbamoylamino]butanedioate
CID 101540795

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-(3-ethoxypropylcarbamoylamino)propanoate?
The IUPAC name of methyl (2S)-2-(3-ethoxypropylcarbamoylamino)propanoate (CID 5389733) is methyl (2S)-2-(3-ethoxypropylcarbamoylamino)propanoate.
What is the SMILES notation for methyl (2S)-2-(3-ethoxypropylcarbamoylamino)propanoate?
The canonical SMILES for methyl (2S)-2-(3-ethoxypropylcarbamoylamino)propanoate is CCOCCCNC(=O)N[C@@H](C)C(=O)OC.
What is the InChIKey of methyl (2S)-2-(3-ethoxypropylcarbamoylamino)propanoate?
The InChIKey is GOJZPUTWCFDBFE-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-4-16-7-5-6-11-10(14)12-8(2)9(13)15-3/h8H,4-7H2,1-3H3,(H2,11,12,14)/t8-/m0/s1.
What are the key properties of methyl (2S)-2-(3-ethoxypropylcarbamoylamino)propanoate?
methyl (2S)-2-(3-ethoxypropylcarbamoylamino)propanoate has a molecular weight of 232.28 g/mol, XLogP of 0.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-(3-ethoxypropylcarbamoylamino)propanoate is sourced from PubChem (CID 5389733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).