2-amino-N-(2,2-dimethoxyethyl)pentanamide

C9H20N2O3 — CID 61274915

IUPAC2-amino-N-(2,2-dimethoxyethyl)pentanamide
SMILESCCCC(N)C(=O)NCC(OC)OC
InChIInChI=1S/C9H20N2O3/c1-4-5-7(10)9(12)11-6-8(13-2)14-3/h7-8H,4-6,10H2,1-3H3,(H,11,12)
InChIKeyFZLSZWVDOORFOC-UHFFFAOYSA-N
MW204.27 g/mol
LogP-0.15
Rot. Bonds7

About 2-amino-N-(2,2-dimethoxyethyl)pentanamide

2-amino-N-(2,2-dimethoxyethyl)pentanamide (PubChem CID 61274915) has the molecular formula C9H20N2O3 and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-amino-N-(2,2-dimethoxyethyl)pentanamide.

Molecular Properties

Compound Name2-amino-N-(2,2-dimethoxyethyl)pentanamide
PubChem CID61274915
Molecular FormulaC9H20N2O3
Molecular Weight204.27 g/mol
Exact Mass204.15
IUPAC Name2-amino-N-(2,2-dimethoxyethyl)pentanamide
SMILESCCCC(N)C(=O)NCC(OC)OC
InChIInChI=1S/C9H20N2O3/c1-4-5-7(10)9(12)11-6-8(13-2)14-3/h7-8H,4-6,10H2,1-3H3,(H,11,12)
InChIKeyFZLSZWVDOORFOC-UHFFFAOYSA-N
XLogP-0.15
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-(2,2-dimethoxyethylamino)-4-oxobutanoic acid
CID 64896338
3-[[(2R)-2-aminopentanoyl]amino]-2-methoxypropanoic acid
CID 106108985
2-amino-N-(2-methoxy-3,3-dimethylbutyl)pentanamide;hydrochloride
CID 119341481
(2S)-2-amino-N-(2-hydroxy-3-methoxypropyl)pentanamide
CID 107569812
(2S)-2-amino-N-(2-hydroxyethyl)pentanamide
CID 89064333
(2R)-2-amino-N-(2,2-dimethoxyethyl)propanamide
CID 78973572
2-amino-N-propylpentanamide
CID 43649977
2-amino-N-(2-methoxy-2-phenylethyl)pentanamide
CID 119278905
(2S)-2-amino-N-(4-hydroxy-2-methylbutyl)pentanamide
CID 107569995
(2R)-2-amino-N-butylpentanamide
CID 82668431
4-(2-aminopentanoylamino)-3-ethoxybutanoic acid
CID 114227038
methyl 2-aminopentanoate
CID 533890

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,2-dimethoxyethyl)pentanamide?
The IUPAC name of 2-amino-N-(2,2-dimethoxyethyl)pentanamide (CID 61274915) is 2-amino-N-(2,2-dimethoxyethyl)pentanamide.
What is the SMILES notation for 2-amino-N-(2,2-dimethoxyethyl)pentanamide?
The canonical SMILES for 2-amino-N-(2,2-dimethoxyethyl)pentanamide is CCCC(N)C(=O)NCC(OC)OC.
What is the InChIKey of 2-amino-N-(2,2-dimethoxyethyl)pentanamide?
The InChIKey is FZLSZWVDOORFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3/c1-4-5-7(10)9(12)11-6-8(13-2)14-3/h7-8H,4-6,10H2,1-3H3,(H,11,12).
What are the key properties of 2-amino-N-(2,2-dimethoxyethyl)pentanamide?
2-amino-N-(2,2-dimethoxyethyl)pentanamide has a molecular weight of 204.27 g/mol, XLogP of -0.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,2-dimethoxyethyl)pentanamide is sourced from PubChem (CID 61274915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).