methyl (1S,2S,4R)-4-amino-2,3-dihydroxycyclopentane-1-carboxylate

C7H13NO4 — CID 59065836

IUPACmethyl (1S,2S,4R)-4-amino-2,3-dihydroxycyclopentane-1-carboxylate
SMILESCOC(=O)[C@H]1C[C@@H](N)C(O)[C@H]1O
InChIInChI=1S/C7H13NO4/c1-12-7(11)3-2-4(8)6(10)5(3)9/h3-6,9-10H,2,8H2,1H3/t3-,4+,5-,6?/m0/s1
InChIKeyDTTVJFYENZGXEP-AMVSKUEXSA-N
MW175.18 g/mol
LogP-1.77
Rot. Bonds1

About methyl (1S,2S,4R)-4-amino-2,3-dihydroxycyclopentane-1-carboxylate

methyl (1S,2S,4R)-4-amino-2,3-dihydroxycyclopentane-1-carboxylate (PubChem CID 59065836) has the molecular formula C7H13NO4 and a molecular weight of 175.18 g/mol. Its IUPAC name is methyl (1S,2S,4R)-4-amino-2,3-dihydroxycyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl (1S,2S,4R)-4-amino-2,3-dihydroxycyclopentane-1-carboxylate
PubChem CID59065836
Molecular FormulaC7H13NO4
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Namemethyl (1S,2S,4R)-4-amino-2,3-dihydroxycyclopentane-1-carboxylate
SMILESCOC(=O)[C@H]1C[C@@H](N)C(O)[C@H]1O
InChIInChI=1S/C7H13NO4/c1-12-7(11)3-2-4(8)6(10)5(3)9/h3-6,9-10H,2,8H2,1H3/t3-,4+,5-,6?/m0/s1
InChIKeyDTTVJFYENZGXEP-AMVSKUEXSA-N
XLogP-1.77
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 5-1.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (1S,2S,4R,5R)-4-aminobicyclo[3.1.0]hexane-2-carboxylate
CID 172613050
dimethyl cyclopropane-1,2-dicarboxylate
CID 2724542
tetramethyl (1S,2R,4S,5R)-cyclohexane-1,2,4,5-tetracarboxylate
CID 102016488
CID 89108103
CID 89108103
2,4-dihydroxy-3-methoxy-5-methoxycarbonylcyclohexane-1-carboxylic acid
CID 91416829
dimethyl (1R,2S,5S)-bicyclo[2.2.1]heptane-2,5-dicarboxylate
CID 174166263
trans-dimethyl (1S,3S)-2-hydroxycyclohexane-1,3-dicarboxylate
CID 6932414
methyl (1R,6S)-6-aminocyclohex-3-ene-1-carboxylate
CID 95434652
cis-methyl (1S,2S)-2-(aminomethyl)cyclobutane-1-carboxylate
CID 55285846
methyl 2-amino-3-methylcyclopentane-1-carboxylate
CID 54300457
trans-methyl (1S,2S)-2-aminocyclohexane-1-carboxylate;hydrochloride
CID 91754378
cis-dimethyl (1R,2S)-4-methoxycyclopentane-1,2-dicarboxylate
CID 14489527

Frequently Asked Questions

What is the IUPAC name of methyl (1S,2S,4R)-4-amino-2,3-dihydroxycyclopentane-1-carboxylate?
The IUPAC name of methyl (1S,2S,4R)-4-amino-2,3-dihydroxycyclopentane-1-carboxylate (CID 59065836) is methyl (1S,2S,4R)-4-amino-2,3-dihydroxycyclopentane-1-carboxylate.
What is the SMILES notation for methyl (1S,2S,4R)-4-amino-2,3-dihydroxycyclopentane-1-carboxylate?
The canonical SMILES for methyl (1S,2S,4R)-4-amino-2,3-dihydroxycyclopentane-1-carboxylate is COC(=O)[C@H]1C[C@@H](N)C(O)[C@H]1O.
What is the InChIKey of methyl (1S,2S,4R)-4-amino-2,3-dihydroxycyclopentane-1-carboxylate?
The InChIKey is DTTVJFYENZGXEP-AMVSKUEXSA-N. The full InChI is InChI=1S/C7H13NO4/c1-12-7(11)3-2-4(8)6(10)5(3)9/h3-6,9-10H,2,8H2,1H3/t3-,4+,5-,6?/m0/s1.
What are the key properties of methyl (1S,2S,4R)-4-amino-2,3-dihydroxycyclopentane-1-carboxylate?
methyl (1S,2S,4R)-4-amino-2,3-dihydroxycyclopentane-1-carboxylate has a molecular weight of 175.18 g/mol, XLogP of -1.77, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1S,2S,4R)-4-amino-2,3-dihydroxycyclopentane-1-carboxylate is sourced from PubChem (CID 59065836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).