(2S)-2-amino-N-(3-methoxypropyl)-3-methylbutanamide

C9H20N2O2 — CID 22690621

IUPAC(2S)-2-amino-N-(3-methoxypropyl)-3-methylbutanamide
SMILESCOCCCNC(=O)[C@@H](N)C(C)C
InChIInChI=1S/C9H20N2O2/c1-7(2)8(10)9(12)11-5-4-6-13-3/h7-8H,4-6,10H2,1-3H3,(H,11,12)/t8-/m0/s1
InChIKeyVFRGDPRRJHDCQW-QMMMGPOBSA-N
MW188.27 g/mol
LogP0.12
Rot. Bonds6

About (2S)-2-amino-N-(3-methoxypropyl)-3-methylbutanamide

(2S)-2-amino-N-(3-methoxypropyl)-3-methylbutanamide (PubChem CID 22690621) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is (2S)-2-amino-N-(3-methoxypropyl)-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(3-methoxypropyl)-3-methylbutanamide
PubChem CID22690621
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name(2S)-2-amino-N-(3-methoxypropyl)-3-methylbutanamide
SMILESCOCCCNC(=O)[C@@H](N)C(C)C
InChIInChI=1S/C9H20N2O2/c1-7(2)8(10)9(12)11-5-4-6-13-3/h7-8H,4-6,10H2,1-3H3,(H,11,12)/t8-/m0/s1
InChIKeyVFRGDPRRJHDCQW-QMMMGPOBSA-N
XLogP0.12
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 50.12
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

(2R)-2-amino-3-methyl-N-(3-propan-2-yloxypropyl)butanamide
CID 79012909
(2S)-2-amino-N-[8-[[(2S)-2-amino-3-methylbutanoyl]amino]octyl]-3-methylbutanamide
CID 101248769
(2R)-2-amino-3-methyl-N-(4-propan-2-yloxybutyl)butanamide
CID 106011533
(2R)-2-amino-N-(3-methoxypropyl)-3,3-dimethylbutanamide
CID 82671375
2-amino-N-[3-(2-methoxyethylamino)-3-oxopropyl]-3-methylbutanamide
CID 112700885
2-amino-N-(3-methoxypropyl)-4-methylpentanamide
CID 22170060
2-hydroxy-N-(3-methoxypropyl)propanamide
CID 43558715
(2S)-2-amino-N-butyl-3-methylbutan(15N)amide
CID 158456312
2-amino-5-methoxy-N-(3-methoxypropyl)pentanamide
CID 81081158
(2R)-2-amino-3-methyl-N-(2-propan-2-yloxyethyl)butanamide
CID 104761131
(2S)-2-amino-N-(3-bromopropyl)-3-methylbutanamide
CID 139696005
2-(3-aminobutylsulfinyl)-N-(3-methoxypropyl)propanamide
CID 81193999

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(3-methoxypropyl)-3-methylbutanamide?
The IUPAC name of (2S)-2-amino-N-(3-methoxypropyl)-3-methylbutanamide (CID 22690621) is (2S)-2-amino-N-(3-methoxypropyl)-3-methylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-(3-methoxypropyl)-3-methylbutanamide?
The canonical SMILES for (2S)-2-amino-N-(3-methoxypropyl)-3-methylbutanamide is COCCCNC(=O)[C@@H](N)C(C)C.
What is the InChIKey of (2S)-2-amino-N-(3-methoxypropyl)-3-methylbutanamide?
The InChIKey is VFRGDPRRJHDCQW-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-7(2)8(10)9(12)11-5-4-6-13-3/h7-8H,4-6,10H2,1-3H3,(H,11,12)/t8-/m0/s1.
What are the key properties of (2S)-2-amino-N-(3-methoxypropyl)-3-methylbutanamide?
(2S)-2-amino-N-(3-methoxypropyl)-3-methylbutanamide has a molecular weight of 188.27 g/mol, XLogP of 0.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(3-methoxypropyl)-3-methylbutanamide is sourced from PubChem (CID 22690621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).