cis-ethyl (1R,4R)-1,3-dihydroxy-4-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylate

C16H21NO6 — CID 57154777

IUPACcis-ethyl (1R,4R)-1,3-dihydroxy-4-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylate
SMILESCCOC(=O)[C@]1(O)CC(O)[C@H](NC(=O)OCc2ccccc2)C1
InChIInChI=1S/C16H21NO6/c1-2-22-14(19)16(21)8-12(13(18)9-16)17-15(20)23-10-11-6-4-3-5-7-11/h3-7,12-13,18,21H,2,8-10H2,1H3,(H,17,20)/t12-,13?,16-/m1/s1
InChIKeyLQXAJPRWNBQRJU-PTLQBWSTSA-N
MW323.34 g/mol
LogP0.73
Rot. Bonds5

About cis-ethyl (1R,4R)-1,3-dihydroxy-4-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylate

cis-ethyl (1R,4R)-1,3-dihydroxy-4-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylate (PubChem CID 57154777) has the molecular formula C16H21NO6 and a molecular weight of 323.34 g/mol. Its IUPAC name is cis-ethyl (1R,4R)-1,3-dihydroxy-4-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namecis-ethyl (1R,4R)-1,3-dihydroxy-4-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylate
PubChem CID57154777
Molecular FormulaC16H21NO6
Molecular Weight323.34 g/mol
Exact Mass323.14
IUPAC Namecis-ethyl (1R,4R)-1,3-dihydroxy-4-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylate
SMILESCCOC(=O)[C@]1(O)CC(O)[C@H](NC(=O)OCc2ccccc2)C1
InChIInChI=1S/C16H21NO6/c1-2-22-14(19)16(21)8-12(13(18)9-16)17-15(20)23-10-11-6-4-3-5-7-11/h3-7,12-13,18,21H,2,8-10H2,1H3,(H,17,20)/t12-,13?,16-/m1/s1
InChIKeyLQXAJPRWNBQRJU-PTLQBWSTSA-N
XLogP0.73
TPSA105.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.34
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

benzyl N-(2-hydroxycyclopropyl)carbamate
CID 69099067
benzyl N-[(1S,2R,4S,5S)-4,5-dihydroxy-2-(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 70892702
ethyl (1R,2S,4S,5R)-4,5-dihydroxy-2-(phenylmethoxycarbonylamino)cyclohexane-1-carboxylate
CID 164669953
benzyl N-[(1R,2R)-2-(phenylmethoxycarbonylamino)cyclopropyl]carbamate
CID 11859602
benzyl N-[(1S,2S)-5,5-difluoro-2-hydroxycyclohexyl]carbamate
CID 169260932
benzyl N-[(1S)-2-(methoxymethyl)cyclohexyl]carbamate
CID 174499936
benzyl N-[(1R,2R)-2-aminocyclobutyl]carbamate
CID 135393121
ethyl (1R,2S,3R)-2-hydroxy-3-(phenylmethoxycarbonylamino)cyclohexane-1-carboxylate
CID 10245512
cis-ethyl (1S,2R)-5,5-difluoro-2-(phenylmethoxycarbonylamino)cyclohexane-1-carboxylate
CID 58259539
benzyl N-[(3R,4S)-4-aminooxolan-3-yl]carbamate
CID 121451593
ethyl 3-(phenylmethoxycarbonylamino)-1,2,3,4-tetrahydronaphthalene-2-carboxylate
CID 69204218
ethyl 1-(phenylmethoxycarbonylaminomethyl)cyclopropane-1-carboxylate
CID 139907855

Frequently Asked Questions

What is the IUPAC name of cis-ethyl (1R,4R)-1,3-dihydroxy-4-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylate?
The IUPAC name of cis-ethyl (1R,4R)-1,3-dihydroxy-4-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylate (CID 57154777) is cis-ethyl (1R,4R)-1,3-dihydroxy-4-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylate.
What is the SMILES notation for cis-ethyl (1R,4R)-1,3-dihydroxy-4-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylate?
The canonical SMILES for cis-ethyl (1R,4R)-1,3-dihydroxy-4-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylate is CCOC(=O)[C@]1(O)CC(O)[C@H](NC(=O)OCc2ccccc2)C1.
What is the InChIKey of cis-ethyl (1R,4R)-1,3-dihydroxy-4-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylate?
The InChIKey is LQXAJPRWNBQRJU-PTLQBWSTSA-N. The full InChI is InChI=1S/C16H21NO6/c1-2-22-14(19)16(21)8-12(13(18)9-16)17-15(20)23-10-11-6-4-3-5-7-11/h3-7,12-13,18,21H,2,8-10H2,1H3,(H,17,20)/t12-,13?,16-/m1/s1.
What are the key properties of cis-ethyl (1R,4R)-1,3-dihydroxy-4-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylate?
cis-ethyl (1R,4R)-1,3-dihydroxy-4-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylate has a molecular weight of 323.34 g/mol, XLogP of 0.73, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cis-ethyl (1R,4R)-1,3-dihydroxy-4-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylate is sourced from PubChem (CID 57154777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).