2-amino-N-(2-amino-2-oxoethyl)-N-cyclopentyl-4-methoxybutanamide

C12H23N3O3 — CID 62474480

IUPAC2-amino-N-(2-amino-2-oxoethyl)-N-cyclopentyl-4-methoxybutanamide
SMILESCOCCC(N)C(=O)N(CC(N)=O)C1CCCC1
InChIInChI=1S/C12H23N3O3/c1-18-7-6-10(13)12(17)15(8-11(14)16)9-4-2-3-5-9/h9-10H,2-8,13H2,1H3,(H2,14,16)
InChIKeyMXOJZTCQLTVYAB-UHFFFAOYSA-N
MW257.33 g/mol
LogP-0.39
Rot. Bonds7

About 2-amino-N-(2-amino-2-oxoethyl)-N-cyclopentyl-4-methoxybutanamide

2-amino-N-(2-amino-2-oxoethyl)-N-cyclopentyl-4-methoxybutanamide (PubChem CID 62474480) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-amino-N-(2-amino-2-oxoethyl)-N-cyclopentyl-4-methoxybutanamide.

Molecular Properties

Compound Name2-amino-N-(2-amino-2-oxoethyl)-N-cyclopentyl-4-methoxybutanamide
PubChem CID62474480
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name2-amino-N-(2-amino-2-oxoethyl)-N-cyclopentyl-4-methoxybutanamide
SMILESCOCCC(N)C(=O)N(CC(N)=O)C1CCCC1
InChIInChI=1S/C12H23N3O3/c1-18-7-6-10(13)12(17)15(8-11(14)16)9-4-2-3-5-9/h9-10H,2-8,13H2,1H3,(H2,14,16)
InChIKeyMXOJZTCQLTVYAB-UHFFFAOYSA-N
XLogP-0.39
TPSA98.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-amino-4-methoxybutanoyl)-cyclopropylamino]acetic acid
CID 62473237
(2S)-2-amino-N-(2-amino-2-oxoethyl)-N-cyclopentyl-4-methylsulfanylbutanamide
CID 61164338
N-(2-amino-2-oxoethyl)-N-cyclopentyl-2-methoxypropanamide
CID 47418493
2-amino-N-cyclopentyl-5-methoxy-N-methylpentanamide
CID 81081449
2-amino-N-(cyclopentylmethyl)-4-methoxy-N-methylbutanamide
CID 63654910
2-amino-N-cyclopentyl-3-methoxy-N-(3-methylbutyl)propanamide
CID 81101488
2-amino-N-cyclopropyl-N-(2-methoxyethyl)pentanamide
CID 60947244
2-amino-N-cyclohexyl-N-ethyl-3-methoxypropanamide
CID 81080942
2-amino-N-(cyclobutylmethyl)-N-ethyl-4-methoxybutanamide
CID 107398526
2-amino-4-methoxy-N-methyl-N-(4-methylcyclohexyl)butanamide
CID 55091669
2-amino-N-cyclopentyl-N-[2-(dimethylamino)ethyl]hexanamide
CID 54873886
(2R)-2-amino-N-cyclopropyl-N-(2-methoxyethyl)-4-methylsulfanylbutanamide
CID 104907782

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-amino-2-oxoethyl)-N-cyclopentyl-4-methoxybutanamide?
The IUPAC name of 2-amino-N-(2-amino-2-oxoethyl)-N-cyclopentyl-4-methoxybutanamide (CID 62474480) is 2-amino-N-(2-amino-2-oxoethyl)-N-cyclopentyl-4-methoxybutanamide.
What is the SMILES notation for 2-amino-N-(2-amino-2-oxoethyl)-N-cyclopentyl-4-methoxybutanamide?
The canonical SMILES for 2-amino-N-(2-amino-2-oxoethyl)-N-cyclopentyl-4-methoxybutanamide is COCCC(N)C(=O)N(CC(N)=O)C1CCCC1.
What is the InChIKey of 2-amino-N-(2-amino-2-oxoethyl)-N-cyclopentyl-4-methoxybutanamide?
The InChIKey is MXOJZTCQLTVYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-18-7-6-10(13)12(17)15(8-11(14)16)9-4-2-3-5-9/h9-10H,2-8,13H2,1H3,(H2,14,16).
What are the key properties of 2-amino-N-(2-amino-2-oxoethyl)-N-cyclopentyl-4-methoxybutanamide?
2-amino-N-(2-amino-2-oxoethyl)-N-cyclopentyl-4-methoxybutanamide has a molecular weight of 257.33 g/mol, XLogP of -0.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-amino-2-oxoethyl)-N-cyclopentyl-4-methoxybutanamide is sourced from PubChem (CID 62474480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).