2-[1-(aminomethyl)cyclobutyl]-N-[2-(carbamoylamino)ethyl]acetamide

C10H20N4O2 — CID 83110025

IUPAC2-[1-(aminomethyl)cyclobutyl]-N-[2-(carbamoylamino)ethyl]acetamide
SMILESNCC1(CC(=O)NCCNC(N)=O)CCC1
InChIInChI=1S/C10H20N4O2/c11-7-10(2-1-3-10)6-8(15)13-4-5-14-9(12)16/h1-7,11H2,(H,13,15)(H3,12,14,16)
InChIKeyQSUQOVCYMDWOMV-UHFFFAOYSA-N
MW228.30 g/mol
LogP-0.71
Rot. Bonds6

About 2-[1-(aminomethyl)cyclobutyl]-N-[2-(carbamoylamino)ethyl]acetamide

2-[1-(aminomethyl)cyclobutyl]-N-[2-(carbamoylamino)ethyl]acetamide (PubChem CID 83110025) has the molecular formula C10H20N4O2 and a molecular weight of 228.30 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclobutyl]-N-[2-(carbamoylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclobutyl]-N-[2-(carbamoylamino)ethyl]acetamide
PubChem CID83110025
Molecular FormulaC10H20N4O2
Molecular Weight228.30 g/mol
Exact Mass228.16
IUPAC Name2-[1-(aminomethyl)cyclobutyl]-N-[2-(carbamoylamino)ethyl]acetamide
SMILESNCC1(CC(=O)NCCNC(N)=O)CCC1
InChIInChI=1S/C10H20N4O2/c11-7-10(2-1-3-10)6-8(15)13-4-5-14-9(12)16/h1-7,11H2,(H,13,15)(H3,12,14,16)
InChIKeyQSUQOVCYMDWOMV-UHFFFAOYSA-N
XLogP-0.71
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 5-0.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(aminomethyl)cyclobutyl]-N-(3-aminopropyl)acetamide
CID 81171928
N-(2-aminoethyl)-2-[1-(aminomethyl)cyclohexyl]acetamide
CID 104677966
2-[1-(aminomethyl)cyclohexyl]-N-(3-aminopropyl)acetamide
CID 104677967
2-[1-(aminomethyl)cyclobutyl]-N-(3-hydroxybutyl)acetamide
CID 81168821
2-[1-(aminomethyl)cyclobutyl]-N-[(1-hydroxycycloheptyl)methyl]acetamide
CID 81169440
2-[1-(aminomethyl)cyclobutyl]-N-[2-(azepan-1-yl)ethyl]acetamide
CID 81171786
2-[[2-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]acetyl]amino]acetic acid
CID 81171912
2-[1-(aminomethyl)cyclohexyl]-N-(2-methoxyethyl)acetamide
CID 82680747
ethyl 4-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]butanoate
CID 81168194
2-[1-(aminomethyl)cyclobutyl]-N-(4-propan-2-yloxybutyl)acetamide
CID 114137021
2-[1-(aminomethyl)cyclobutyl]-N-[(2-hydroxycyclopentyl)methyl]acetamide
CID 81169138
2-[1-(aminomethyl)cyclohexyl]-N-(3-methylsulfanylpropyl)acetamide
CID 59780090

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-[2-(carbamoylamino)ethyl]acetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-[2-(carbamoylamino)ethyl]acetamide (CID 83110025) is 2-[1-(aminomethyl)cyclobutyl]-N-[2-(carbamoylamino)ethyl]acetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclobutyl]-N-[2-(carbamoylamino)ethyl]acetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclobutyl]-N-[2-(carbamoylamino)ethyl]acetamide is NCC1(CC(=O)NCCNC(N)=O)CCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclobutyl]-N-[2-(carbamoylamino)ethyl]acetamide?
The InChIKey is QSUQOVCYMDWOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O2/c11-7-10(2-1-3-10)6-8(15)13-4-5-14-9(12)16/h1-7,11H2,(H,13,15)(H3,12,14,16).
What are the key properties of 2-[1-(aminomethyl)cyclobutyl]-N-[2-(carbamoylamino)ethyl]acetamide?
2-[1-(aminomethyl)cyclobutyl]-N-[2-(carbamoylamino)ethyl]acetamide has a molecular weight of 228.30 g/mol, XLogP of -0.71, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclobutyl]-N-[2-(carbamoylamino)ethyl]acetamide is sourced from PubChem (CID 83110025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).