ethyl 4-(propan-2-ylcarbamoylamino)butanoate

C10H20N2O3 — CID 60706145

IUPACethyl 4-(propan-2-ylcarbamoylamino)butanoate
SMILESCCOC(=O)CCCNC(=O)NC(C)C
InChIInChI=1S/C10H20N2O3/c1-4-15-9(13)6-5-7-11-10(14)12-8(2)3/h8H,4-7H2,1-3H3,(H2,11,12,14)
InChIKeySJVQUZPEYUCFKJ-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.04
Rot. Bonds6

About ethyl 4-(propan-2-ylcarbamoylamino)butanoate

ethyl 4-(propan-2-ylcarbamoylamino)butanoate (PubChem CID 60706145) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is ethyl 4-(propan-2-ylcarbamoylamino)butanoate.

Molecular Properties

Compound Nameethyl 4-(propan-2-ylcarbamoylamino)butanoate
PubChem CID60706145
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Nameethyl 4-(propan-2-ylcarbamoylamino)butanoate
SMILESCCOC(=O)CCCNC(=O)NC(C)C
InChIInChI=1S/C10H20N2O3/c1-4-15-9(13)6-5-7-11-10(14)12-8(2)3/h8H,4-7H2,1-3H3,(H2,11,12,14)
InChIKeySJVQUZPEYUCFKJ-UHFFFAOYSA-N
XLogP1.04
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.04
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 ethyl 4-(propan-2-ylcarbamoylamino)butanoate?
The IUPAC name of ethyl 4-(propan-2-ylcarbamoylamino)butanoate (CID 60706145) is ethyl 4-(propan-2-ylcarbamoylamino)butanoate.
What is the SMILES notation for ethyl 4-(propan-2-ylcarbamoylamino)butanoate?
The canonical SMILES for ethyl 4-(propan-2-ylcarbamoylamino)butanoate is CCOC(=O)CCCNC(=O)NC(C)C.
What is the InChIKey of ethyl 4-(propan-2-ylcarbamoylamino)butanoate?
The InChIKey is SJVQUZPEYUCFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-4-15-9(13)6-5-7-11-10(14)12-8(2)3/h8H,4-7H2,1-3H3,(H2,11,12,14).
What are the key properties of ethyl 4-(propan-2-ylcarbamoylamino)butanoate?
ethyl 4-(propan-2-ylcarbamoylamino)butanoate has a molecular weight of 216.28 g/mol, XLogP of 1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(propan-2-ylcarbamoylamino)butanoate is sourced from PubChem (CID 60706145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).