4-[2-[1-(aminomethyl)cyclobutyl]acetyl]-N-propylmorpholine-3-carboxamide

C15H27N3O3 — CID 83099020

IUPAC4-[2-[1-(aminomethyl)cyclobutyl]acetyl]-N-propylmorpholine-3-carboxamide
SMILESCCCNC(=O)C1COCCN1C(=O)CC1(CN)CCC1
InChIInChI=1S/C15H27N3O3/c1-2-6-17-14(20)12-10-21-8-7-18(12)13(19)9-15(11-16)4-3-5-15/h12H,2-11,16H2,1H3,(H,17,20)
InChIKeyWCZUBVBYPIDZRF-UHFFFAOYSA-N
MW297.40 g/mol
LogP0.26
Rot. Bonds6

About 4-[2-[1-(aminomethyl)cyclobutyl]acetyl]-N-propylmorpholine-3-carboxamide

4-[2-[1-(aminomethyl)cyclobutyl]acetyl]-N-propylmorpholine-3-carboxamide (PubChem CID 83099020) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 4-[2-[1-(aminomethyl)cyclobutyl]acetyl]-N-propylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-[2-[1-(aminomethyl)cyclobutyl]acetyl]-N-propylmorpholine-3-carboxamide
PubChem CID83099020
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name4-[2-[1-(aminomethyl)cyclobutyl]acetyl]-N-propylmorpholine-3-carboxamide
SMILESCCCNC(=O)C1COCCN1C(=O)CC1(CN)CCC1
InChIInChI=1S/C15H27N3O3/c1-2-6-17-14(20)12-10-21-8-7-18(12)13(19)9-15(11-16)4-3-5-15/h12H,2-11,16H2,1H3,(H,17,20)
InChIKeyWCZUBVBYPIDZRF-UHFFFAOYSA-N
XLogP0.26
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[1-(aminomethyl)cyclobutyl]acetyl]-N-methylmorpholine-3-carboxamide
CID 83096851
4-[2-[1-(aminomethyl)cyclohexyl]acetyl]-N-methylmorpholine-3-carboxamide
CID 104678605
4-(3-aminopropanoyl)-N-propylmorpholine-3-carboxamide
CID 83106811
4-[2-[1-(aminomethyl)cyclohexyl]acetyl]morpholine-3-carboxamide
CID 104678604
3-N-propylmorpholine-3,4-dicarboxamide
CID 83106321
4-[2-(2-aminoethoxy)acetyl]-N-propylmorpholine-3-carboxamide
CID 83098648
4-(1-cyanocyclopentanecarbonyl)-N-propylmorpholine-3-carboxamide
CID 83096887
4-N-butyl-3-N-propylmorpholine-3,4-dicarboxamide
CID 116657442
2-[methyl-[3-(propylcarbamoyl)morpholine-4-carbonyl]amino]acetic acid
CID 83103120
4-[2-(methylamino)propanoyl]-N-propylmorpholine-3-carboxamide
CID 83097059
N-ethyl-4-[3-(ethylamino)propanoyl]morpholine-3-carboxamide
CID 83099263
4-[2-(cyanomethylamino)-2-oxoacetyl]-N-propylmorpholine-3-carboxamide
CID 83097670

Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-(aminomethyl)cyclobutyl]acetyl]-N-propylmorpholine-3-carboxamide?
The IUPAC name of 4-[2-[1-(aminomethyl)cyclobutyl]acetyl]-N-propylmorpholine-3-carboxamide (CID 83099020) is 4-[2-[1-(aminomethyl)cyclobutyl]acetyl]-N-propylmorpholine-3-carboxamide.
What is the SMILES notation for 4-[2-[1-(aminomethyl)cyclobutyl]acetyl]-N-propylmorpholine-3-carboxamide?
The canonical SMILES for 4-[2-[1-(aminomethyl)cyclobutyl]acetyl]-N-propylmorpholine-3-carboxamide is CCCNC(=O)C1COCCN1C(=O)CC1(CN)CCC1.
What is the InChIKey of 4-[2-[1-(aminomethyl)cyclobutyl]acetyl]-N-propylmorpholine-3-carboxamide?
The InChIKey is WCZUBVBYPIDZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-2-6-17-14(20)12-10-21-8-7-18(12)13(19)9-15(11-16)4-3-5-15/h12H,2-11,16H2,1H3,(H,17,20).
What are the key properties of 4-[2-[1-(aminomethyl)cyclobutyl]acetyl]-N-propylmorpholine-3-carboxamide?
4-[2-[1-(aminomethyl)cyclobutyl]acetyl]-N-propylmorpholine-3-carboxamide has a molecular weight of 297.40 g/mol, XLogP of 0.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-(aminomethyl)cyclobutyl]acetyl]-N-propylmorpholine-3-carboxamide is sourced from PubChem (CID 83099020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).