cis-1-methoxypropan-2-yl (1R,3S)-3-aminocyclopentane-1-carboxylate

C10H19NO3 — CID 106323858

IUPACcis-1-methoxypropan-2-yl (1R,3S)-3-aminocyclopentane-1-carboxylate
SMILESCOCC(C)OC(=O)[C@@H]1CC[C@H](N)C1
InChIInChI=1S/C10H19NO3/c1-7(6-13-2)14-10(12)8-3-4-9(11)5-8/h7-9H,3-6,11H2,1-2H3/t7?,8-,9+/m1/s1
InChIKeyCVINBCZABNKCCB-ASODMVGOSA-N
MW201.27 g/mol
LogP0.69
Rot. Bonds4

About cis-1-methoxypropan-2-yl (1R,3S)-3-aminocyclopentane-1-carboxylate

cis-1-methoxypropan-2-yl (1R,3S)-3-aminocyclopentane-1-carboxylate (PubChem CID 106323858) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is cis-1-methoxypropan-2-yl (1R,3S)-3-aminocyclopentane-1-carboxylate.

Molecular Properties

Compound Namecis-1-methoxypropan-2-yl (1R,3S)-3-aminocyclopentane-1-carboxylate
PubChem CID106323858
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Namecis-1-methoxypropan-2-yl (1R,3S)-3-aminocyclopentane-1-carboxylate
SMILESCOCC(C)OC(=O)[C@@H]1CC[C@H](N)C1
InChIInChI=1S/C10H19NO3/c1-7(6-13-2)14-10(12)8-3-4-9(11)5-8/h7-9H,3-6,11H2,1-2H3/t7?,8-,9+/m1/s1
InChIKeyCVINBCZABNKCCB-ASODMVGOSA-N
XLogP0.69
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cis-2-methylpropyl (1R,3S)-3-aminocyclopentane-1-carboxylate
CID 106323797
2-methoxyethyl 3-aminocyclohexane-1-carboxylate
CID 63043382
4-methylpentan-2-yl 4-(aminomethyl)cyclohexane-1-carboxylate
CID 79524651
cis-pentyl (1R,3S)-3-aminocyclopentane-1-carboxylate
CID 106323832
3-amino-N-(2-methoxypropyl)cyclopentane-1-carboxamide
CID 102695070
3-amino-N-butan-2-yl-N-(2-methoxyethyl)cyclopentane-1-carboxamide
CID 66010253
bis[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl] cyclohexane-1,2-dicarboxylate
CID 67978346
1-methoxypropan-2-yl 2-sulfanylpropanoate
CID 91488591
1-O-tert-butyl 4-O-(1-methoxypropan-2-yl) piperidine-1,4-dicarboxylate
CID 68535093
tert-butyl (3R)-3-aminocyclopentane-1-carboxylate
CID 121277242
1-(3-aminocyclopentyl)-2-propan-2-yloxyethanone
CID 116587127
1-methoxypropan-2-yl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate
CID 64712692

Frequently Asked Questions

What is the IUPAC name of cis-1-methoxypropan-2-yl (1R,3S)-3-aminocyclopentane-1-carboxylate?
The IUPAC name of cis-1-methoxypropan-2-yl (1R,3S)-3-aminocyclopentane-1-carboxylate (CID 106323858) is cis-1-methoxypropan-2-yl (1R,3S)-3-aminocyclopentane-1-carboxylate.
What is the SMILES notation for cis-1-methoxypropan-2-yl (1R,3S)-3-aminocyclopentane-1-carboxylate?
The canonical SMILES for cis-1-methoxypropan-2-yl (1R,3S)-3-aminocyclopentane-1-carboxylate is COCC(C)OC(=O)[C@@H]1CC[C@H](N)C1.
What is the InChIKey of cis-1-methoxypropan-2-yl (1R,3S)-3-aminocyclopentane-1-carboxylate?
The InChIKey is CVINBCZABNKCCB-ASODMVGOSA-N. The full InChI is InChI=1S/C10H19NO3/c1-7(6-13-2)14-10(12)8-3-4-9(11)5-8/h7-9H,3-6,11H2,1-2H3/t7?,8-,9+/m1/s1.
What are the key properties of cis-1-methoxypropan-2-yl (1R,3S)-3-aminocyclopentane-1-carboxylate?
cis-1-methoxypropan-2-yl (1R,3S)-3-aminocyclopentane-1-carboxylate has a molecular weight of 201.27 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-1-methoxypropan-2-yl (1R,3S)-3-aminocyclopentane-1-carboxylate is sourced from PubChem (CID 106323858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).