methyl 4-(carbamoylamino)butanoate

C6H12N2O3 — CID 13367764

IUPACmethyl 4-(carbamoylamino)butanoate
SMILESCOC(=O)CCCNC(N)=O
InChIInChI=1S/C6H12N2O3/c1-11-5(9)3-2-4-8-6(7)10/h2-4H2,1H3,(H3,7,8,10)
InChIKeyLQFHPDVMVPZZCY-UHFFFAOYSA-N
MW160.17 g/mol
LogP-0.39
Rot. Bonds4

About methyl 4-(carbamoylamino)butanoate

methyl 4-(carbamoylamino)butanoate (PubChem CID 13367764) has the molecular formula C6H12N2O3 and a molecular weight of 160.17 g/mol. Its IUPAC name is methyl 4-(carbamoylamino)butanoate.

Molecular Properties

Compound Namemethyl 4-(carbamoylamino)butanoate
PubChem CID13367764
Molecular FormulaC6H12N2O3
Molecular Weight160.17 g/mol
Exact Mass160.08
IUPAC Namemethyl 4-(carbamoylamino)butanoate
SMILESCOC(=O)CCCNC(N)=O
InChIInChI=1S/C6H12N2O3/c1-11-5(9)3-2-4-8-6(7)10/h2-4H2,1H3,(H3,7,8,10)
InChIKeyLQFHPDVMVPZZCY-UHFFFAOYSA-N
XLogP-0.39
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(carbamoylamino)butanoate?
The IUPAC name of methyl 4-(carbamoylamino)butanoate (CID 13367764) is methyl 4-(carbamoylamino)butanoate.
What is the SMILES notation for methyl 4-(carbamoylamino)butanoate?
The canonical SMILES for methyl 4-(carbamoylamino)butanoate is COC(=O)CCCNC(N)=O.
What is the InChIKey of methyl 4-(carbamoylamino)butanoate?
The InChIKey is LQFHPDVMVPZZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O3/c1-11-5(9)3-2-4-8-6(7)10/h2-4H2,1H3,(H3,7,8,10).
What are the key properties of methyl 4-(carbamoylamino)butanoate?
methyl 4-(carbamoylamino)butanoate has a molecular weight of 160.17 g/mol, XLogP of -0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(carbamoylamino)butanoate is sourced from PubChem (CID 13367764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).