(2S)-2-amino-3-methyl-N-(4-propan-2-yloxybutyl)pentanamide

C13H28N2O2 — CID 114137059

IUPAC(2S)-2-amino-3-methyl-N-(4-propan-2-yloxybutyl)pentanamide
SMILESCCC(C)[C@H](N)C(=O)NCCCCOC(C)C
InChIInChI=1S/C13H28N2O2/c1-5-11(4)12(14)13(16)15-8-6-7-9-17-10(2)3/h10-12H,5-9,14H2,1-4H3,(H,15,16)/t11?,12-/m0/s1
InChIKeyHXFCOTJWBXWYNH-KIYNQFGBSA-N
MW244.38 g/mol
LogP1.68
Rot. Bonds9

About (2S)-2-amino-3-methyl-N-(4-propan-2-yloxybutyl)pentanamide

(2S)-2-amino-3-methyl-N-(4-propan-2-yloxybutyl)pentanamide (PubChem CID 114137059) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-N-(4-propan-2-yloxybutyl)pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-N-(4-propan-2-yloxybutyl)pentanamide
PubChem CID114137059
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name(2S)-2-amino-3-methyl-N-(4-propan-2-yloxybutyl)pentanamide
SMILESCCC(C)[C@H](N)C(=O)NCCCCOC(C)C
InChIInChI=1S/C13H28N2O2/c1-5-11(4)12(14)13(16)15-8-6-7-9-17-10(2)3/h10-12H,5-9,14H2,1-4H3,(H,15,16)/t11?,12-/m0/s1
InChIKeyHXFCOTJWBXWYNH-KIYNQFGBSA-N
XLogP1.68
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.68
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

2-amino-3-methyl-N-(3-propan-2-yloxypropyl)pentanamide;hydrochloride
CID 119677886
(2R)-2-amino-3-methyl-N-(4-propan-2-yloxybutyl)butanamide
CID 106011533
(2S)-2-amino-3-methyl-N-pentylpentanamide
CID 22690936
(2S)-2-amino-N-(4-hydroxybutyl)-3-methylpentanamide
CID 87554780
(2S)-2-amino-3-methyl-N-octadecylpentanamide
CID 58604652
(2R)-2-amino-3-methyl-N-(3-propan-2-yloxypropyl)butanamide
CID 79012909
7-[[(2S)-2-amino-3-methylpentanoyl]amino]heptanoic acid
CID 61172355
(2S,3S)-2-amino-3-methyl-N-[3-(2-methylpropoxy)propyl]pentanamide
CID 61155526
2-amino-3-methyl-N-(5,5,5-trifluoropentyl)pentanamide
CID 113327482
propyl N-(4-propan-2-yloxybutyl)carbamate
CID 149467433
(2S)-2-amino-N-ethyl-3-methylpentanamide
CID 61172974
2-amino-3-methyl-N-(3-methylsulfinylpropyl)pentanamide
CID 115739288

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-N-(4-propan-2-yloxybutyl)pentanamide?
The IUPAC name of (2S)-2-amino-3-methyl-N-(4-propan-2-yloxybutyl)pentanamide (CID 114137059) is (2S)-2-amino-3-methyl-N-(4-propan-2-yloxybutyl)pentanamide.
What is the SMILES notation for (2S)-2-amino-3-methyl-N-(4-propan-2-yloxybutyl)pentanamide?
The canonical SMILES for (2S)-2-amino-3-methyl-N-(4-propan-2-yloxybutyl)pentanamide is CCC(C)[C@H](N)C(=O)NCCCCOC(C)C.
What is the InChIKey of (2S)-2-amino-3-methyl-N-(4-propan-2-yloxybutyl)pentanamide?
The InChIKey is HXFCOTJWBXWYNH-KIYNQFGBSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-5-11(4)12(14)13(16)15-8-6-7-9-17-10(2)3/h10-12H,5-9,14H2,1-4H3,(H,15,16)/t11?,12-/m0/s1.
What are the key properties of (2S)-2-amino-3-methyl-N-(4-propan-2-yloxybutyl)pentanamide?
(2S)-2-amino-3-methyl-N-(4-propan-2-yloxybutyl)pentanamide has a molecular weight of 244.38 g/mol, XLogP of 1.68, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methyl-N-(4-propan-2-yloxybutyl)pentanamide is sourced from PubChem (CID 114137059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).