(2R)-2-amino-N-(2,2-dimethoxyethyl)propanamide

C7H16N2O3 — CID 78973572

IUPAC(2R)-2-amino-N-(2,2-dimethoxyethyl)propanamide
SMILESCOC(CNC(=O)[C@@H](C)N)OC
InChIInChI=1S/C7H16N2O3/c1-5(8)7(10)9-4-6(11-2)12-3/h5-6H,4,8H2,1-3H3,(H,9,10)/t5-/m1/s1
InChIKeyFWAGZQARCSXGKA-RXMQYKEDSA-N
MW176.22 g/mol
LogP-0.93
Rot. Bonds5

About (2R)-2-amino-N-(2,2-dimethoxyethyl)propanamide

(2R)-2-amino-N-(2,2-dimethoxyethyl)propanamide (PubChem CID 78973572) has the molecular formula C7H16N2O3 and a molecular weight of 176.22 g/mol. Its IUPAC name is (2R)-2-amino-N-(2,2-dimethoxyethyl)propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(2,2-dimethoxyethyl)propanamide
PubChem CID78973572
Molecular FormulaC7H16N2O3
Molecular Weight176.22 g/mol
Exact Mass176.12
IUPAC Name(2R)-2-amino-N-(2,2-dimethoxyethyl)propanamide
SMILESCOC(CNC(=O)[C@@H](C)N)OC
InChIInChI=1S/C7H16N2O3/c1-5(8)7(10)9-4-6(11-2)12-3/h5-6H,4,8H2,1-3H3,(H,9,10)/t5-/m1/s1
InChIKeyFWAGZQARCSXGKA-RXMQYKEDSA-N
XLogP-0.93
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 5-0.93
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-[[(2R)-2-aminopropanoyl]amino]-2-methoxypropanoic acid
CID 106109032
methyl 3-(2-aminopropanoylamino)-2-hydroxypropanoate
CID 103846044
3-amino-4-(2,2-dimethoxyethylamino)-4-oxobutanoic acid
CID 64896338
2-amino-N-(2,2-dimethoxyethyl)pentanamide
CID 61274915
2,2-dimethoxyethylcarbamic acid
CID 18938836
2-amino-N-(2-methoxyethyl)propanamide
CID 24703832
(2S)-2-amino-N-[2-[2-[2-[[(2S)-2-aminopropanoyl]amino]ethoxy]ethoxy]ethyl]propanamide
CID 15459454
(2S)-2-amino-N-(2-methylbutyl)propanamide
CID 59620908
(2S)-2-amino-N-[2-[[(2S)-2-aminopropanoyl]amino]ethyl]propanamide;dihydrochloride
CID 18651575
(2R)-2-amino-N-[2-(2-methoxyethoxy)ethyl]propanamide
CID 78977070
(2S)-2-amino-N-(2-hydroxybutyl)propanamide
CID 104866791
3-amino-N-(2,2-dimethoxyethyl)propanamide
CID 61275461

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(2,2-dimethoxyethyl)propanamide?
The IUPAC name of (2R)-2-amino-N-(2,2-dimethoxyethyl)propanamide (CID 78973572) is (2R)-2-amino-N-(2,2-dimethoxyethyl)propanamide.
What is the SMILES notation for (2R)-2-amino-N-(2,2-dimethoxyethyl)propanamide?
The canonical SMILES for (2R)-2-amino-N-(2,2-dimethoxyethyl)propanamide is COC(CNC(=O)[C@@H](C)N)OC.
What is the InChIKey of (2R)-2-amino-N-(2,2-dimethoxyethyl)propanamide?
The InChIKey is FWAGZQARCSXGKA-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H16N2O3/c1-5(8)7(10)9-4-6(11-2)12-3/h5-6H,4,8H2,1-3H3,(H,9,10)/t5-/m1/s1.
What are the key properties of (2R)-2-amino-N-(2,2-dimethoxyethyl)propanamide?
(2R)-2-amino-N-(2,2-dimethoxyethyl)propanamide has a molecular weight of 176.22 g/mol, XLogP of -0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(2,2-dimethoxyethyl)propanamide is sourced from PubChem (CID 78973572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).