(2R)-2-amino-3-methyl-N-(3-propan-2-yloxypropyl)butanamide

C11H24N2O2 — CID 79012909

IUPAC(2R)-2-amino-3-methyl-N-(3-propan-2-yloxypropyl)butanamide
SMILESCC(C)OCCCNC(=O)[C@H](N)C(C)C
InChIInChI=1S/C11H24N2O2/c1-8(2)10(12)11(14)13-6-5-7-15-9(3)4/h8-10H,5-7,12H2,1-4H3,(H,13,14)/t10-/m1/s1
InChIKeyLXZRBRFSXORVOF-SNVBAGLBSA-N
MW216.32 g/mol
LogP0.90
Rot. Bonds7

About (2R)-2-amino-3-methyl-N-(3-propan-2-yloxypropyl)butanamide

(2R)-2-amino-3-methyl-N-(3-propan-2-yloxypropyl)butanamide (PubChem CID 79012909) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is (2R)-2-amino-3-methyl-N-(3-propan-2-yloxypropyl)butanamide.

Molecular Properties

Compound Name(2R)-2-amino-3-methyl-N-(3-propan-2-yloxypropyl)butanamide
PubChem CID79012909
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name(2R)-2-amino-3-methyl-N-(3-propan-2-yloxypropyl)butanamide
SMILESCC(C)OCCCNC(=O)[C@H](N)C(C)C
InChIInChI=1S/C11H24N2O2/c1-8(2)10(12)11(14)13-6-5-7-15-9(3)4/h8-10H,5-7,12H2,1-4H3,(H,13,14)/t10-/m1/s1
InChIKeyLXZRBRFSXORVOF-SNVBAGLBSA-N
XLogP0.90
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 50.90
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-(4-propan-2-yloxybutyl)butanamide
CID 106011533
(2R)-2-amino-3-methyl-N-(2-propan-2-yloxyethyl)butanamide
CID 104761131
(2S)-2-amino-N-(3-methoxypropyl)-3-methylbutanamide
CID 22690621
2-amino-3-methyl-N-(3-propan-2-yloxypropyl)pentanamide;hydrochloride
CID 119677886
(2S)-2-amino-N-[8-[[(2S)-2-amino-3-methylbutanoyl]amino]octyl]-3-methylbutanamide
CID 101248769
(2S)-2-amino-3-methyl-N-(4-propan-2-yloxybutyl)pentanamide
CID 114137059
(2S)-2-amino-4-methyl-N-(3-propan-2-yloxypropyl)pentanamide
CID 61275418
(2S)-2-chloro-N-(3-propan-2-yloxypropyl)propanamide
CID 92660589
(2S)-2-amino-N-butyl-3-methylbutan(15N)amide
CID 158456312
2-amino-4-methoxy-N-(3-propan-2-yloxypropyl)butanamide
CID 62476611
4-amino-2-methyl-N-(3-propan-2-yloxypropyl)butanamide
CID 80543906
(2S)-2-amino-N-(3-bromopropyl)-3-methylbutanamide
CID 139696005

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-methyl-N-(3-propan-2-yloxypropyl)butanamide?
The IUPAC name of (2R)-2-amino-3-methyl-N-(3-propan-2-yloxypropyl)butanamide (CID 79012909) is (2R)-2-amino-3-methyl-N-(3-propan-2-yloxypropyl)butanamide.
What is the SMILES notation for (2R)-2-amino-3-methyl-N-(3-propan-2-yloxypropyl)butanamide?
The canonical SMILES for (2R)-2-amino-3-methyl-N-(3-propan-2-yloxypropyl)butanamide is CC(C)OCCCNC(=O)[C@H](N)C(C)C.
What is the InChIKey of (2R)-2-amino-3-methyl-N-(3-propan-2-yloxypropyl)butanamide?
The InChIKey is LXZRBRFSXORVOF-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-8(2)10(12)11(14)13-6-5-7-15-9(3)4/h8-10H,5-7,12H2,1-4H3,(H,13,14)/t10-/m1/s1.
What are the key properties of (2R)-2-amino-3-methyl-N-(3-propan-2-yloxypropyl)butanamide?
(2R)-2-amino-3-methyl-N-(3-propan-2-yloxypropyl)butanamide has a molecular weight of 216.32 g/mol, XLogP of 0.90, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-methyl-N-(3-propan-2-yloxypropyl)butanamide is sourced from PubChem (CID 79012909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).