methyl 3-[[2-(carbamoylamino)-2-oxoethyl]amino]propanoate

C7H13N3O4 — CID 60661713

IUPACmethyl 3-[[2-(carbamoylamino)-2-oxoethyl]amino]propanoate
SMILESCOC(=O)CCNCC(=O)NC(N)=O
InChIInChI=1S/C7H13N3O4/c1-14-6(12)2-3-9-4-5(11)10-7(8)13/h9H,2-4H2,1H3,(H3,8,10,11,13)
InChIKeyCQXHPOZGSOBUIM-UHFFFAOYSA-N
MW203.20 g/mol
LogP-1.67
Rot. Bonds5

About methyl 3-[[2-(carbamoylamino)-2-oxoethyl]amino]propanoate

methyl 3-[[2-(carbamoylamino)-2-oxoethyl]amino]propanoate (PubChem CID 60661713) has the molecular formula C7H13N3O4 and a molecular weight of 203.20 g/mol. Its IUPAC name is methyl 3-[[2-(carbamoylamino)-2-oxoethyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[2-(carbamoylamino)-2-oxoethyl]amino]propanoate
PubChem CID60661713
Molecular FormulaC7H13N3O4
Molecular Weight203.20 g/mol
Exact Mass203.09
IUPAC Namemethyl 3-[[2-(carbamoylamino)-2-oxoethyl]amino]propanoate
SMILESCOC(=O)CCNCC(=O)NC(N)=O
InChIInChI=1S/C7H13N3O4/c1-14-6(12)2-3-9-4-5(11)10-7(8)13/h9H,2-4H2,1H3,(H3,8,10,11,13)
InChIKeyCQXHPOZGSOBUIM-UHFFFAOYSA-N
XLogP-1.67
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 5-1.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[[1-(carbamoylamino)-1-oxopropan-2-yl]amino]propanoate
CID 60672495
methyl 3-(2-methylidenebutylamino)propanoate
CID 66045929
N-carbamoyl-2-[2-[di(propan-2-yl)amino]ethylamino]acetamide
CID 28568651
methyl 4-[(3-methoxy-3-oxopropyl)amino]butanoate
CID 60926530
N-carbamoyl-2-(2-methylprop-2-enylamino)acetamide
CID 114616996
methyl 3-[(2-aminoacetyl)amino]propanoate
CID 60672581
methyl 3-[(3-amino-3-sulfanylidenepropanoyl)amino]propanoate
CID 61293180
N-carbamoyl-2-(2-cyclohexylethylamino)acetamide
CID 60920757
ethyl 3-hydroxy-4-[(3-methoxy-3-oxopropyl)amino]butanoate
CID 103240342
ethyl 2-[[2-(2-methoxyethylamino)acetyl]amino]acetate
CID 79282629
ethyl 2-(carbamoyl(15N)amino)acetate
CID 46781708
methyl 3-[(2-formamidoacetyl)amino]propanoate
CID 127519438

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(carbamoylamino)-2-oxoethyl]amino]propanoate?
The IUPAC name of methyl 3-[[2-(carbamoylamino)-2-oxoethyl]amino]propanoate (CID 60661713) is methyl 3-[[2-(carbamoylamino)-2-oxoethyl]amino]propanoate.
What is the SMILES notation for methyl 3-[[2-(carbamoylamino)-2-oxoethyl]amino]propanoate?
The canonical SMILES for methyl 3-[[2-(carbamoylamino)-2-oxoethyl]amino]propanoate is COC(=O)CCNCC(=O)NC(N)=O.
What is the InChIKey of methyl 3-[[2-(carbamoylamino)-2-oxoethyl]amino]propanoate?
The InChIKey is CQXHPOZGSOBUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O4/c1-14-6(12)2-3-9-4-5(11)10-7(8)13/h9H,2-4H2,1H3,(H3,8,10,11,13).
What are the key properties of methyl 3-[[2-(carbamoylamino)-2-oxoethyl]amino]propanoate?
methyl 3-[[2-(carbamoylamino)-2-oxoethyl]amino]propanoate has a molecular weight of 203.20 g/mol, XLogP of -1.67, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(carbamoylamino)-2-oxoethyl]amino]propanoate is sourced from PubChem (CID 60661713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).