(2S,3R)-2-amino-N-methyl-3-(spiro[2.5]octan-6-ylmethoxy)butanamide

C14H26N2O2 — CID 171594019

IUPAC(2S,3R)-2-amino-N-methyl-3-(spiro[2.5]octan-6-ylmethoxy)butanamide
SMILESCNC(=O)[C@@H](N)[C@@H](C)OCC1CCC2(CC1)CC2
InChIInChI=1S/C14H26N2O2/c1-10(12(15)13(17)16-2)18-9-11-3-5-14(6-4-11)7-8-14/h10-12H,3-9,15H2,1-2H3,(H,16,17)/t10-,12+/m1/s1
InChIKeyHREHQHARVOHNGD-PWSUYJOCSA-N
MW254.37 g/mol
LogP1.44
Rot. Bonds5

About (2S,3R)-2-amino-N-methyl-3-(spiro[2.5]octan-6-ylmethoxy)butanamide

(2S,3R)-2-amino-N-methyl-3-(spiro[2.5]octan-6-ylmethoxy)butanamide (PubChem CID 171594019) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is (2S,3R)-2-amino-N-methyl-3-(spiro[2.5]octan-6-ylmethoxy)butanamide.

Molecular Properties

Compound Name(2S,3R)-2-amino-N-methyl-3-(spiro[2.5]octan-6-ylmethoxy)butanamide
PubChem CID171594019
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name(2S,3R)-2-amino-N-methyl-3-(spiro[2.5]octan-6-ylmethoxy)butanamide
SMILESCNC(=O)[C@@H](N)[C@@H](C)OCC1CCC2(CC1)CC2
InChIInChI=1S/C14H26N2O2/c1-10(12(15)13(17)16-2)18-9-11-3-5-14(6-4-11)7-8-14/h10-12H,3-9,15H2,1-2H3,(H,16,17)/t10-,12+/m1/s1
InChIKeyHREHQHARVOHNGD-PWSUYJOCSA-N
XLogP1.44
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-acetamido-3-[(4,4-dimethylcyclohexyl)methoxy]-N-methylbutanamide
CID 174329363
(2S,3R)-2-amino-N-methyl-3-(2-oxabicyclo[2.2.2]octan-4-ylmethoxy)butanamide
CID 164604348
3-(cyclopentylmethoxy)-N-methyl-2-(2-methylpropanoylamino)butanamide
CID 171594077
2-acetamido-3-(cyclopentylmethoxy)-N-methylbutanamide
CID 164605032
3-(cycloheptylmethoxy)-N-methyl-2-(2-methylpropanoylamino)butanamide
CID 171593836
(2S,3R)-2-amino-3-[(4,4-difluorocyclohexyl)methoxy]-1-(4-methoxypiperidin-1-yl)butan-1-one
CID 171594285
[(2S,3R)-3-(cyclopropylmethoxy)butan-2-yl] (2S)-2-aminopropanoate
CID 121466683
2-amino-N-methyl-3-(2-methylpentoxy)butanamide;ethane
CID 166554157
2-acetamido-N-methyl-3-(oxan-4-ylmethoxy)butanamide;ethane
CID 164604737
2-(cyclopentylmethoxy)-N,3,3-trimethylbutanamide
CID 70921332
cyclopropylmethyl 2-amino-3-methylpentanoate
CID 61150459
2-(cyclopentylmethoxy)propanehydrazide
CID 66321450

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-amino-N-methyl-3-(spiro[2.5]octan-6-ylmethoxy)butanamide?
The IUPAC name of (2S,3R)-2-amino-N-methyl-3-(spiro[2.5]octan-6-ylmethoxy)butanamide (CID 171594019) is (2S,3R)-2-amino-N-methyl-3-(spiro[2.5]octan-6-ylmethoxy)butanamide.
What is the SMILES notation for (2S,3R)-2-amino-N-methyl-3-(spiro[2.5]octan-6-ylmethoxy)butanamide?
The canonical SMILES for (2S,3R)-2-amino-N-methyl-3-(spiro[2.5]octan-6-ylmethoxy)butanamide is CNC(=O)[C@@H](N)[C@@H](C)OCC1CCC2(CC1)CC2.
What is the InChIKey of (2S,3R)-2-amino-N-methyl-3-(spiro[2.5]octan-6-ylmethoxy)butanamide?
The InChIKey is HREHQHARVOHNGD-PWSUYJOCSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-10(12(15)13(17)16-2)18-9-11-3-5-14(6-4-11)7-8-14/h10-12H,3-9,15H2,1-2H3,(H,16,17)/t10-,12+/m1/s1.
What are the key properties of (2S,3R)-2-amino-N-methyl-3-(spiro[2.5]octan-6-ylmethoxy)butanamide?
(2S,3R)-2-amino-N-methyl-3-(spiro[2.5]octan-6-ylmethoxy)butanamide has a molecular weight of 254.37 g/mol, XLogP of 1.44, 5 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-methyl-3-(spiro[2.5]octan-6-ylmethoxy)butanamide is sourced from PubChem (CID 171594019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).