methyl 3-(carbamoylamino)propanoate

C5H10N2O3 — CID 60703115

IUPACmethyl 3-(carbamoylamino)propanoate
SMILESCOC(=O)CCNC(N)=O
InChIInChI=1S/C5H10N2O3/c1-10-4(8)2-3-7-5(6)9/h2-3H2,1H3,(H3,6,7,9)
InChIKeyUFAMKVNXXZQVNE-UHFFFAOYSA-N
MW146.15 g/mol
LogP-0.78
Rot. Bonds3

About methyl 3-(carbamoylamino)propanoate

methyl 3-(carbamoylamino)propanoate (PubChem CID 60703115) has the molecular formula C5H10N2O3 and a molecular weight of 146.15 g/mol. Its IUPAC name is methyl 3-(carbamoylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-(carbamoylamino)propanoate
PubChem CID60703115
Molecular FormulaC5H10N2O3
Molecular Weight146.15 g/mol
Exact Mass146.07
IUPAC Namemethyl 3-(carbamoylamino)propanoate
SMILESCOC(=O)CCNC(N)=O
InChIInChI=1S/C5H10N2O3/c1-10-4(8)2-3-7-5(6)9/h2-3H2,1H3,(H3,6,7,9)
InChIKeyUFAMKVNXXZQVNE-UHFFFAOYSA-N
XLogP-0.78
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(carbamoylamino)propanoate?
The IUPAC name of methyl 3-(carbamoylamino)propanoate (CID 60703115) is methyl 3-(carbamoylamino)propanoate.
What is the SMILES notation for methyl 3-(carbamoylamino)propanoate?
The canonical SMILES for methyl 3-(carbamoylamino)propanoate is COC(=O)CCNC(N)=O.
What is the InChIKey of methyl 3-(carbamoylamino)propanoate?
The InChIKey is UFAMKVNXXZQVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O3/c1-10-4(8)2-3-7-5(6)9/h2-3H2,1H3,(H3,6,7,9).
What are the key properties of methyl 3-(carbamoylamino)propanoate?
methyl 3-(carbamoylamino)propanoate has a molecular weight of 146.15 g/mol, XLogP of -0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(carbamoylamino)propanoate is sourced from PubChem (CID 60703115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).