(2S,3R)-2-amino-N-butyl-3-[(2-methylpropan-2-yl)oxy]butanamide

C12H26N2O2 — CID 71360530

IUPAC(2S,3R)-2-amino-N-butyl-3-[(2-methylpropan-2-yl)oxy]butanamide
SMILESCCCCNC(=O)[C@@H](N)[C@@H](C)OC(C)(C)C
InChIInChI=1S/C12H26N2O2/c1-6-7-8-14-11(15)10(13)9(2)16-12(3,4)5/h9-10H,6-8,13H2,1-5H3,(H,14,15)/t9-,10+/m1/s1
InChIKeyAIBLLXDMFBUCCD-ZJUUUORDSA-N
MW230.35 g/mol
LogP1.43
Rot. Bonds6

About (2S,3R)-2-amino-N-butyl-3-[(2-methylpropan-2-yl)oxy]butanamide

(2S,3R)-2-amino-N-butyl-3-[(2-methylpropan-2-yl)oxy]butanamide (PubChem CID 71360530) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is (2S,3R)-2-amino-N-butyl-3-[(2-methylpropan-2-yl)oxy]butanamide.

Molecular Properties

Compound Name(2S,3R)-2-amino-N-butyl-3-[(2-methylpropan-2-yl)oxy]butanamide
PubChem CID71360530
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name(2S,3R)-2-amino-N-butyl-3-[(2-methylpropan-2-yl)oxy]butanamide
SMILESCCCCNC(=O)[C@@H](N)[C@@H](C)OC(C)(C)C
InChIInChI=1S/C12H26N2O2/c1-6-7-8-14-11(15)10(13)9(2)16-12(3,4)5/h9-10H,6-8,13H2,1-5H3,(H,14,15)/t9-,10+/m1/s1
InChIKeyAIBLLXDMFBUCCD-ZJUUUORDSA-N
XLogP1.43
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 51.43
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,3R)-N-(2-acetamidoethyl)-2-amino-3-[(2-methylpropan-2-yl)oxy]butanamide
CID 114274672
(2S)-2-amino-N-butyl-3-methylbutan(15N)amide
CID 158456312
(2S)-2-amino-N-butyl(113C)propanamide
CID 157365112
(2S)-2-amino-N-butylpropan(15N)amide
CID 158456310
(2S)-2-amino-3-methyl-N-pentylpentanamide
CID 22690936
(2S)-2-amino-3-methyl-N-octadecylpentanamide
CID 58604652
(2S,3R)-2-amino-3-[(2-methylpropan-2-yl)oxy]-N-(2,2,2-trifluoroethoxy)butanamide
CID 114274918
2-amino-3-hydroxy-N-octylbutanamide
CID 90110768
(2S)-2-amino-N-[2-(butylamino)-2-oxoethyl]-3-methylbutanamide
CID 82962524
tert-butyl N-[1-(butylamino)-1-oxopropan-2-yl]carbamate
CID 10824212
tert-butyl (2S,3S)-2-amino-3-[(2-methylpropan-2-yl)oxy]butanoate
CID 91539834
tert-butyl N-butylcarbamate;methane
CID 153346289

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-amino-N-butyl-3-[(2-methylpropan-2-yl)oxy]butanamide?
The IUPAC name of (2S,3R)-2-amino-N-butyl-3-[(2-methylpropan-2-yl)oxy]butanamide (CID 71360530) is (2S,3R)-2-amino-N-butyl-3-[(2-methylpropan-2-yl)oxy]butanamide.
What is the SMILES notation for (2S,3R)-2-amino-N-butyl-3-[(2-methylpropan-2-yl)oxy]butanamide?
The canonical SMILES for (2S,3R)-2-amino-N-butyl-3-[(2-methylpropan-2-yl)oxy]butanamide is CCCCNC(=O)[C@@H](N)[C@@H](C)OC(C)(C)C.
What is the InChIKey of (2S,3R)-2-amino-N-butyl-3-[(2-methylpropan-2-yl)oxy]butanamide?
The InChIKey is AIBLLXDMFBUCCD-ZJUUUORDSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-6-7-8-14-11(15)10(13)9(2)16-12(3,4)5/h9-10H,6-8,13H2,1-5H3,(H,14,15)/t9-,10+/m1/s1.
What are the key properties of (2S,3R)-2-amino-N-butyl-3-[(2-methylpropan-2-yl)oxy]butanamide?
(2S,3R)-2-amino-N-butyl-3-[(2-methylpropan-2-yl)oxy]butanamide has a molecular weight of 230.35 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-amino-N-butyl-3-[(2-methylpropan-2-yl)oxy]butanamide is sourced from PubChem (CID 71360530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).