(2R)-2-amino-N-(3-methoxypropyl)-3,3-dimethylbutanamide

C10H22N2O2 — CID 82671375

IUPAC(2R)-2-amino-N-(3-methoxypropyl)-3,3-dimethylbutanamide
SMILESCOCCCNC(=O)[C@H](N)C(C)(C)C
InChIInChI=1S/C10H22N2O2/c1-10(2,3)8(11)9(13)12-6-5-7-14-4/h8H,5-7,11H2,1-4H3,(H,12,13)/t8-/m0/s1
InChIKeyZVRSXJKPDDQXTB-QMMMGPOBSA-N
MW202.30 g/mol
LogP0.51
Rot. Bonds5

About (2R)-2-amino-N-(3-methoxypropyl)-3,3-dimethylbutanamide

(2R)-2-amino-N-(3-methoxypropyl)-3,3-dimethylbutanamide (PubChem CID 82671375) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is (2R)-2-amino-N-(3-methoxypropyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(3-methoxypropyl)-3,3-dimethylbutanamide
PubChem CID82671375
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name(2R)-2-amino-N-(3-methoxypropyl)-3,3-dimethylbutanamide
SMILESCOCCCNC(=O)[C@H](N)C(C)(C)C
InChIInChI=1S/C10H22N2O2/c1-10(2,3)8(11)9(13)12-6-5-7-14-4/h8H,5-7,11H2,1-4H3,(H,12,13)/t8-/m0/s1
InChIKeyZVRSXJKPDDQXTB-QMMMGPOBSA-N
XLogP0.51
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-N-(4-methoxybutyl)-3,3-dimethylbutanamide;hydrochloride
CID 119722377
(2S)-2-amino-N-(3-ethoxypropyl)-3,3-dimethylbutanamide;hydrochloride
CID 119675575
2-amino-N-(3-butoxypropyl)-3,3-dimethylbutanamide
CID 115750966
(2S)-2-amino-N-(3-methoxypropyl)-3-methylbutanamide
CID 22690621
(2R)-2-amino-N-(4-aminobutyl)-3,3-dimethylbutanamide
CID 103929631
2-amino-N-(4-aminobutyl)-3,3-dimethylbutanamide
CID 76897344
(2S)-2-amino-N-[3-(4-methoxyphenoxy)propyl]-3,3-dimethylbutanamide;hydrochloride
CID 119747949
2-(3-methoxypropylcarbamoyl)-3,3-dimethylbutanoic acid
CID 116536707
2-amino-5-methoxy-N-(3-methoxypropyl)pentanamide
CID 81081158
(2R)-2-amino-3,3-dimethyl-N-(4-methylpentyl)butanamide
CID 103929431
(2S)-2-amino-3,3-dimethyl-N-[3-[methyl(propan-2-yl)amino]propyl]butanamide
CID 114140545
(2R)-2-amino-3,3-dimethyl-N-(3-methylsulfonylpropyl)butanamide
CID 103929425

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(3-methoxypropyl)-3,3-dimethylbutanamide?
The IUPAC name of (2R)-2-amino-N-(3-methoxypropyl)-3,3-dimethylbutanamide (CID 82671375) is (2R)-2-amino-N-(3-methoxypropyl)-3,3-dimethylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-(3-methoxypropyl)-3,3-dimethylbutanamide?
The canonical SMILES for (2R)-2-amino-N-(3-methoxypropyl)-3,3-dimethylbutanamide is COCCCNC(=O)[C@H](N)C(C)(C)C.
What is the InChIKey of (2R)-2-amino-N-(3-methoxypropyl)-3,3-dimethylbutanamide?
The InChIKey is ZVRSXJKPDDQXTB-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-10(2,3)8(11)9(13)12-6-5-7-14-4/h8H,5-7,11H2,1-4H3,(H,12,13)/t8-/m0/s1.
What are the key properties of (2R)-2-amino-N-(3-methoxypropyl)-3,3-dimethylbutanamide?
(2R)-2-amino-N-(3-methoxypropyl)-3,3-dimethylbutanamide has a molecular weight of 202.30 g/mol, XLogP of 0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(3-methoxypropyl)-3,3-dimethylbutanamide is sourced from PubChem (CID 82671375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).