1-amino-3-ethoxy-2,2-dimethyl-N-[(5-oxopyrrolidin-2-yl)methyl]cyclobutane-1-carboxamide

C14H25N3O3 — CID 114829352

IUPAC1-amino-3-ethoxy-2,2-dimethyl-N-[(5-oxopyrrolidin-2-yl)methyl]cyclobutane-1-carboxamide
SMILESCCOC1CC(N)(C(=O)NCC2CCC(=O)N2)C1(C)C
InChIInChI=1S/C14H25N3O3/c1-4-20-10-7-14(15,13(10,2)3)12(19)16-8-9-5-6-11(18)17-9/h9-10H,4-8,15H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyDHFTUPDPJYMCFS-UHFFFAOYSA-N
MW283.37 g/mol
LogP-0.09
Rot. Bonds5

About 1-amino-3-ethoxy-2,2-dimethyl-N-[(5-oxopyrrolidin-2-yl)methyl]cyclobutane-1-carboxamide

1-amino-3-ethoxy-2,2-dimethyl-N-[(5-oxopyrrolidin-2-yl)methyl]cyclobutane-1-carboxamide (PubChem CID 114829352) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-amino-3-ethoxy-2,2-dimethyl-N-[(5-oxopyrrolidin-2-yl)methyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-3-ethoxy-2,2-dimethyl-N-[(5-oxopyrrolidin-2-yl)methyl]cyclobutane-1-carboxamide
PubChem CID114829352
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name1-amino-3-ethoxy-2,2-dimethyl-N-[(5-oxopyrrolidin-2-yl)methyl]cyclobutane-1-carboxamide
SMILESCCOC1CC(N)(C(=O)NCC2CCC(=O)N2)C1(C)C
InChIInChI=1S/C14H25N3O3/c1-4-20-10-7-14(15,13(10,2)3)12(19)16-8-9-5-6-11(18)17-9/h9-10H,4-8,15H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyDHFTUPDPJYMCFS-UHFFFAOYSA-N
XLogP-0.09
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-ethoxy-2,2-dimethyl-N-[(5-oxopyrrolidin-2-yl)methyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-amino-3-ethoxy-2,2-dimethyl-N-[(5-oxopyrrolidin-2-yl)methyl]cyclobutane-1-carboxamide (CID 114829352) is 1-amino-3-ethoxy-2,2-dimethyl-N-[(5-oxopyrrolidin-2-yl)methyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-3-ethoxy-2,2-dimethyl-N-[(5-oxopyrrolidin-2-yl)methyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-3-ethoxy-2,2-dimethyl-N-[(5-oxopyrrolidin-2-yl)methyl]cyclobutane-1-carboxamide is CCOC1CC(N)(C(=O)NCC2CCC(=O)N2)C1(C)C.
What is the InChIKey of 1-amino-3-ethoxy-2,2-dimethyl-N-[(5-oxopyrrolidin-2-yl)methyl]cyclobutane-1-carboxamide?
The InChIKey is DHFTUPDPJYMCFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-4-20-10-7-14(15,13(10,2)3)12(19)16-8-9-5-6-11(18)17-9/h9-10H,4-8,15H2,1-3H3,(H,16,19)(H,17,18).
What are the key properties of 1-amino-3-ethoxy-2,2-dimethyl-N-[(5-oxopyrrolidin-2-yl)methyl]cyclobutane-1-carboxamide?
1-amino-3-ethoxy-2,2-dimethyl-N-[(5-oxopyrrolidin-2-yl)methyl]cyclobutane-1-carboxamide has a molecular weight of 283.37 g/mol, XLogP of -0.09, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-ethoxy-2,2-dimethyl-N-[(5-oxopyrrolidin-2-yl)methyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 114829352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).