[(1R,2S)-1-cyclopropyl-1-(cyclopropylmethoxy)propan-2-yl] (2S)-2-aminopropanoate

C13H23NO3 — CID 121466201

IUPAC[(1R,2S)-1-cyclopropyl-1-(cyclopropylmethoxy)propan-2-yl] (2S)-2-aminopropanoate
SMILESC[C@H](N)C(=O)O[C@@H](C)[C@H](OCC1CC1)C1CC1
InChIInChI=1S/C13H23NO3/c1-8(14)13(15)17-9(2)12(11-5-6-11)16-7-10-3-4-10/h8-12H,3-7,14H2,1-2H3/t8-,9-,12-/m0/s1
InChIKeyOOCLNMQXVPQGHY-AUTRQRHGSA-N
MW241.33 g/mol
LogP1.47
Rot. Bonds7

About [(1R,2S)-1-cyclopropyl-1-(cyclopropylmethoxy)propan-2-yl] (2S)-2-aminopropanoate

[(1R,2S)-1-cyclopropyl-1-(cyclopropylmethoxy)propan-2-yl] (2S)-2-aminopropanoate (PubChem CID 121466201) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is [(1R,2S)-1-cyclopropyl-1-(cyclopropylmethoxy)propan-2-yl] (2S)-2-aminopropanoate.

Molecular Properties

Compound Name[(1R,2S)-1-cyclopropyl-1-(cyclopropylmethoxy)propan-2-yl] (2S)-2-aminopropanoate
PubChem CID121466201
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name[(1R,2S)-1-cyclopropyl-1-(cyclopropylmethoxy)propan-2-yl] (2S)-2-aminopropanoate
SMILESC[C@H](N)C(=O)O[C@@H](C)[C@H](OCC1CC1)C1CC1
InChIInChI=1S/C13H23NO3/c1-8(14)13(15)17-9(2)12(11-5-6-11)16-7-10-3-4-10/h8-12H,3-7,14H2,1-2H3/t8-,9-,12-/m0/s1
InChIKeyOOCLNMQXVPQGHY-AUTRQRHGSA-N
XLogP1.47
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-1-cyclopropyl-1-(cyclopropylmethoxy)propan-2-yl] (2S)-2-aminopropanoate?
The IUPAC name of [(1R,2S)-1-cyclopropyl-1-(cyclopropylmethoxy)propan-2-yl] (2S)-2-aminopropanoate (CID 121466201) is [(1R,2S)-1-cyclopropyl-1-(cyclopropylmethoxy)propan-2-yl] (2S)-2-aminopropanoate.
What is the SMILES notation for [(1R,2S)-1-cyclopropyl-1-(cyclopropylmethoxy)propan-2-yl] (2S)-2-aminopropanoate?
The canonical SMILES for [(1R,2S)-1-cyclopropyl-1-(cyclopropylmethoxy)propan-2-yl] (2S)-2-aminopropanoate is C[C@H](N)C(=O)O[C@@H](C)[C@H](OCC1CC1)C1CC1.
What is the InChIKey of [(1R,2S)-1-cyclopropyl-1-(cyclopropylmethoxy)propan-2-yl] (2S)-2-aminopropanoate?
The InChIKey is OOCLNMQXVPQGHY-AUTRQRHGSA-N. The full InChI is InChI=1S/C13H23NO3/c1-8(14)13(15)17-9(2)12(11-5-6-11)16-7-10-3-4-10/h8-12H,3-7,14H2,1-2H3/t8-,9-,12-/m0/s1.
What are the key properties of [(1R,2S)-1-cyclopropyl-1-(cyclopropylmethoxy)propan-2-yl] (2S)-2-aminopropanoate?
[(1R,2S)-1-cyclopropyl-1-(cyclopropylmethoxy)propan-2-yl] (2S)-2-aminopropanoate has a molecular weight of 241.33 g/mol, XLogP of 1.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-1-cyclopropyl-1-(cyclopropylmethoxy)propan-2-yl] (2S)-2-aminopropanoate is sourced from PubChem (CID 121466201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).