3-amino-N-(2-amino-2-oxoethyl)-N-benzylcyclopentane-1-carboxamide

C15H21N3O2 — CID 119783021

IUPAC3-amino-N-(2-amino-2-oxoethyl)-N-benzylcyclopentane-1-carboxamide
SMILESNC(=O)CN(Cc1ccccc1)C(=O)C1CCC(N)C1
InChIInChI=1S/C15H21N3O2/c16-13-7-6-12(8-13)15(20)18(10-14(17)19)9-11-4-2-1-3-5-11/h1-5,12-13H,6-10,16H2,(H2,17,19)
InChIKeyIFSWPXNZSJEQLF-UHFFFAOYSA-N
MW275.35 g/mol
LogP0.63
Rot. Bonds5

About 3-amino-N-(2-amino-2-oxoethyl)-N-benzylcyclopentane-1-carboxamide

3-amino-N-(2-amino-2-oxoethyl)-N-benzylcyclopentane-1-carboxamide (PubChem CID 119783021) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-amino-N-(2-amino-2-oxoethyl)-N-benzylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-amino-2-oxoethyl)-N-benzylcyclopentane-1-carboxamide
PubChem CID119783021
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name3-amino-N-(2-amino-2-oxoethyl)-N-benzylcyclopentane-1-carboxamide
SMILESNC(=O)CN(Cc1ccccc1)C(=O)C1CCC(N)C1
InChIInChI=1S/C15H21N3O2/c16-13-7-6-12(8-13)15(20)18(10-14(17)19)9-11-4-2-1-3-5-11/h1-5,12-13H,6-10,16H2,(H2,17,19)
InChIKeyIFSWPXNZSJEQLF-UHFFFAOYSA-N
XLogP0.63
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-benzyl-N-(2-phenylethyl)cyclopentane-1-carboxamide
CID 119675945
3-amino-N-(3-amino-3-oxopropyl)-N-benzylcyclohexane-1-carboxamide
CID 119696818
3-amino-N-benzyl-N-(4-methoxybutyl)cyclopentane-1-carboxamide
CID 119752506
N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]cyclopropanecarboxamide
CID 60912130
N-(2-amino-2-oxoethyl)-N-benzylpiperidine-3-carboxamide
CID 119323255
3-amino-N-benzyl-N-propan-2-ylcyclopentane-1-carboxamide;hydrochloride
CID 119676287
3-amino-N-ethyl-N-[(3-methylphenyl)methyl]cyclopentane-1-carboxamide
CID 66010420
3-amino-N-(2-amino-2-oxoethyl)-N-[(1R)-1-phenylethyl]cyclopentane-1-carboxamide
CID 119807871
4-[(3-amino-3-oxopropyl)-benzylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672388
3-amino-N-(2-phenylethyl)-N-prop-2-enylcyclopentane-1-carboxamide
CID 119033370
cis-(1R,3S)-3-amino-N-(2-phenylethyl)-N-prop-2-enylcyclopentane-1-carboxamide
CID 100645426
N,N-dibenzylcyclohexanecarboxamide
CID 1371794

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-amino-2-oxoethyl)-N-benzylcyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-(2-amino-2-oxoethyl)-N-benzylcyclopentane-1-carboxamide (CID 119783021) is 3-amino-N-(2-amino-2-oxoethyl)-N-benzylcyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-(2-amino-2-oxoethyl)-N-benzylcyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-(2-amino-2-oxoethyl)-N-benzylcyclopentane-1-carboxamide is NC(=O)CN(Cc1ccccc1)C(=O)C1CCC(N)C1.
What is the InChIKey of 3-amino-N-(2-amino-2-oxoethyl)-N-benzylcyclopentane-1-carboxamide?
The InChIKey is IFSWPXNZSJEQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c16-13-7-6-12(8-13)15(20)18(10-14(17)19)9-11-4-2-1-3-5-11/h1-5,12-13H,6-10,16H2,(H2,17,19).
What are the key properties of 3-amino-N-(2-amino-2-oxoethyl)-N-benzylcyclopentane-1-carboxamide?
3-amino-N-(2-amino-2-oxoethyl)-N-benzylcyclopentane-1-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-amino-2-oxoethyl)-N-benzylcyclopentane-1-carboxamide is sourced from PubChem (CID 119783021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).