trans-(3R,4R)-1-amino-3,4-dimethoxycyclopentane-1-carboxylic acid

C8H15NO4 — CID 102274744

IUPACtrans-(3R,4R)-1-amino-3,4-dimethoxycyclopentane-1-carboxylic acid
SMILESCO[C@@H]1CC(N)(C(=O)O)C[C@H]1OC
InChIInChI=1S/C8H15NO4/c1-12-5-3-8(9,7(10)11)4-6(5)13-2/h5-6H,3-4,9H2,1-2H3,(H,10,11)/t5-,6-/m1/s1
InChIKeyHBCXSCLGMWADIF-PHDIDXHHSA-N
MW189.21 g/mol
LogP-0.41
Rot. Bonds3

About trans-(3R,4R)-1-amino-3,4-dimethoxycyclopentane-1-carboxylic acid

trans-(3R,4R)-1-amino-3,4-dimethoxycyclopentane-1-carboxylic acid (PubChem CID 102274744) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is trans-(3R,4R)-1-amino-3,4-dimethoxycyclopentane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(3R,4R)-1-amino-3,4-dimethoxycyclopentane-1-carboxylic acid
PubChem CID102274744
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Nametrans-(3R,4R)-1-amino-3,4-dimethoxycyclopentane-1-carboxylic acid
SMILESCO[C@@H]1CC(N)(C(=O)O)C[C@H]1OC
InChIInChI=1S/C8H15NO4/c1-12-5-3-8(9,7(10)11)4-6(5)13-2/h5-6H,3-4,9H2,1-2H3,(H,10,11)/t5-,6-/m1/s1
InChIKeyHBCXSCLGMWADIF-PHDIDXHHSA-N
XLogP-0.41
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 4302961
1-amino-3-(hydroxymethyl)cyclobutane-1-carboxylic acid;hydrochloride
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1,3,4,5-tetramethoxycyclohexane-1-carboxylic acid
CID 20695746
2-amino-1,3,3a,4,5,6,7,7a-octahydroindene-2-carboxylic acid
CID 83906747
3-methoxy-1-methyl-4-nitrooxycyclopentane-1-carboxylic acid
CID 67396924
(1S,3R,4R)-1-amino-3-fluoro-4-hydroxycyclopentane-1-carboxylic acid
CID 168753065
1-amino-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cyclopentane-1-carboxylic acid
CID 104565132
cis-(1R,2S)-1-amino-2-bromocyclopropane-1-carboxylic acid
CID 10329917
(3S,5R)-3-amino-5-methylpyrrolidine-3-carboxylic acid
CID 15235153
4-amino-1-methoxypiperidine-4-carboxylic acid
CID 59614576
1-aminocyclopropane-1-carboxylic acid;hydrate
CID 45116610
3,4-dimethoxy-1,1-dimethylcyclopentane
CID 58806283

Frequently Asked Questions

What is the IUPAC name of trans-(3R,4R)-1-amino-3,4-dimethoxycyclopentane-1-carboxylic acid?
The IUPAC name of trans-(3R,4R)-1-amino-3,4-dimethoxycyclopentane-1-carboxylic acid (CID 102274744) is trans-(3R,4R)-1-amino-3,4-dimethoxycyclopentane-1-carboxylic acid.
What is the SMILES notation for trans-(3R,4R)-1-amino-3,4-dimethoxycyclopentane-1-carboxylic acid?
The canonical SMILES for trans-(3R,4R)-1-amino-3,4-dimethoxycyclopentane-1-carboxylic acid is CO[C@@H]1CC(N)(C(=O)O)C[C@H]1OC.
What is the InChIKey of trans-(3R,4R)-1-amino-3,4-dimethoxycyclopentane-1-carboxylic acid?
The InChIKey is HBCXSCLGMWADIF-PHDIDXHHSA-N. The full InChI is InChI=1S/C8H15NO4/c1-12-5-3-8(9,7(10)11)4-6(5)13-2/h5-6H,3-4,9H2,1-2H3,(H,10,11)/t5-,6-/m1/s1.
What are the key properties of trans-(3R,4R)-1-amino-3,4-dimethoxycyclopentane-1-carboxylic acid?
trans-(3R,4R)-1-amino-3,4-dimethoxycyclopentane-1-carboxylic acid has a molecular weight of 189.21 g/mol, XLogP of -0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(3R,4R)-1-amino-3,4-dimethoxycyclopentane-1-carboxylic acid is sourced from PubChem (CID 102274744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).