[(2S,3R)-3-(cyclopropylmethoxy)butan-2-yl] (2S)-2-aminopropanoate

C11H21NO3 — CID 121466683

IUPAC[(2S,3R)-3-(cyclopropylmethoxy)butan-2-yl] (2S)-2-aminopropanoate
SMILESC[C@H](N)C(=O)O[C@@H](C)[C@@H](C)OCC1CC1
InChIInChI=1S/C11H21NO3/c1-7(12)11(13)15-9(3)8(2)14-6-10-4-5-10/h7-10H,4-6,12H2,1-3H3/t7-,8+,9-/m0/s1
InChIKeySGIIXTWJDRMYPL-YIZRAAEISA-N
MW215.29 g/mol
LogP1.08
Rot. Bonds6

About [(2S,3R)-3-(cyclopropylmethoxy)butan-2-yl] (2S)-2-aminopropanoate

[(2S,3R)-3-(cyclopropylmethoxy)butan-2-yl] (2S)-2-aminopropanoate (PubChem CID 121466683) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is [(2S,3R)-3-(cyclopropylmethoxy)butan-2-yl] (2S)-2-aminopropanoate.

Molecular Properties

Compound Name[(2S,3R)-3-(cyclopropylmethoxy)butan-2-yl] (2S)-2-aminopropanoate
PubChem CID121466683
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name[(2S,3R)-3-(cyclopropylmethoxy)butan-2-yl] (2S)-2-aminopropanoate
SMILESC[C@H](N)C(=O)O[C@@H](C)[C@@H](C)OCC1CC1
InChIInChI=1S/C11H21NO3/c1-7(12)11(13)15-9(3)8(2)14-6-10-4-5-10/h7-10H,4-6,12H2,1-3H3/t7-,8+,9-/m0/s1
InChIKeySGIIXTWJDRMYPL-YIZRAAEISA-N
XLogP1.08
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2S,3R)-3-(cyclopropylmethoxy)butan-2-yl] (2S)-2-aminopropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S,3R)-3-(cyclopropylmethoxy)-5-methylhexan-2-yl] (2S)-2-aminopropanoate
CID 121466557
[(1R,2S)-1-cyclopropyl-1-(cyclopropylmethoxy)propan-2-yl] (2S)-2-aminopropanoate
CID 121466201
[(2S,3S,4S)-3-(cyclopropylmethoxy)-4-ethyl-7-methyloctan-2-yl] (2S)-2-aminopropanoate
CID 121466289
[(2S,3R)-5-methyl-3-(2-methylpropoxy)hexan-2-yl] (2S)-2-aminopropanoate
CID 121466556
4-(cyclopropylmethoxy)pentan-2-one
CID 64697956
1,4-bis(propan-2-yloxymethyl)cyclohexane
CID 18739268
cyclopropylmethyl 2-sulfanylpropanoate
CID 107018198
2-(cyclobutylmethoxy)propanamide
CID 164935394
cyclopropylmethyl 2-amino-3-methylpentanoate
CID 61150459
3-(oxan-4-ylmethoxy)butan-2-amine
CID 62382238
(2S,3R)-2-amino-N-methyl-3-(spiro[2.5]octan-6-ylmethoxy)butanamide
CID 171594019
(3R)-3-amino-1-cyclopropylbutan-2-one
CID 96732436

Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-3-(cyclopropylmethoxy)butan-2-yl] (2S)-2-aminopropanoate?
The IUPAC name of [(2S,3R)-3-(cyclopropylmethoxy)butan-2-yl] (2S)-2-aminopropanoate (CID 121466683) is [(2S,3R)-3-(cyclopropylmethoxy)butan-2-yl] (2S)-2-aminopropanoate.
What is the SMILES notation for [(2S,3R)-3-(cyclopropylmethoxy)butan-2-yl] (2S)-2-aminopropanoate?
The canonical SMILES for [(2S,3R)-3-(cyclopropylmethoxy)butan-2-yl] (2S)-2-aminopropanoate is C[C@H](N)C(=O)O[C@@H](C)[C@@H](C)OCC1CC1.
What is the InChIKey of [(2S,3R)-3-(cyclopropylmethoxy)butan-2-yl] (2S)-2-aminopropanoate?
The InChIKey is SGIIXTWJDRMYPL-YIZRAAEISA-N. The full InChI is InChI=1S/C11H21NO3/c1-7(12)11(13)15-9(3)8(2)14-6-10-4-5-10/h7-10H,4-6,12H2,1-3H3/t7-,8+,9-/m0/s1.
What are the key properties of [(2S,3R)-3-(cyclopropylmethoxy)butan-2-yl] (2S)-2-aminopropanoate?
[(2S,3R)-3-(cyclopropylmethoxy)butan-2-yl] (2S)-2-aminopropanoate has a molecular weight of 215.29 g/mol, XLogP of 1.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-3-(cyclopropylmethoxy)butan-2-yl] (2S)-2-aminopropanoate is sourced from PubChem (CID 121466683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).