cis-(1R,2S)-4-methyl-2-[(2-oxooxolan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid

C12H17NO5 — CID 114092484

IUPACcis-(1R,2S)-4-methyl-2-[(2-oxooxolan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCC1C[C@H](C(=O)NC2CCOC2=O)[C@H](C(=O)O)C1
InChIInChI=1S/C12H17NO5/c1-6-4-7(8(5-6)11(15)16)10(14)13-9-2-3-18-12(9)17/h6-9H,2-5H2,1H3,(H,13,14)(H,15,16)/t6?,7-,8+,9?/m0/s1
InChIKeyKBGCZHXDSSVTLC-FDNDLASISA-N
MW255.27 g/mol
LogP0.17
Rot. Bonds3

About cis-(1R,2S)-4-methyl-2-[(2-oxooxolan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid

cis-(1R,2S)-4-methyl-2-[(2-oxooxolan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 114092484) has the molecular formula C12H17NO5 and a molecular weight of 255.27 g/mol. Its IUPAC name is cis-(1R,2S)-4-methyl-2-[(2-oxooxolan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,2S)-4-methyl-2-[(2-oxooxolan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID114092484
Molecular FormulaC12H17NO5
Molecular Weight255.27 g/mol
Exact Mass255.11
IUPAC Namecis-(1R,2S)-4-methyl-2-[(2-oxooxolan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCC1C[C@H](C(=O)NC2CCOC2=O)[C@H](C(=O)O)C1
InChIInChI=1S/C12H17NO5/c1-6-4-7(8(5-6)11(15)16)10(14)13-9-2-3-18-12(9)17/h6-9H,2-5H2,1H3,(H,13,14)(H,15,16)/t6?,7-,8+,9?/m0/s1
InChIKeyKBGCZHXDSSVTLC-FDNDLASISA-N
XLogP0.17
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-3-[(2-oxooxolan-3-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 65417909
(1R,2S,5R)-5-methyl-N-[(3S)-2-oxooxepan-3-yl]-2-propan-2-ylcyclohexane-1-carboxamide
CID 91031679
5,5-dimethyl-N-(2-oxooxolan-3-yl)-2-propan-2-ylcyclohexane-1-carboxamide
CID 122582304
1-ethyl-3-[(3S)-2-oxooxolan-3-yl]urea
CID 127013922
2-methyl-N-(2-oxooxolan-3-yl)propanamide
CID 23020667
2,3-dimethyl-4-oxo-4-[(2-oxooxolan-3-yl)amino]but-2-enoic acid
CID 77067252
2-[(4-hydroxycyclohexyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 104966695
4-oxo-4-[[(3S)-2-oxooxolan-3-yl]amino]but-2-enoic acid
CID 91335090
6-oxo-6-[(2-oxooxolan-3-yl)amino]hexanoic acid
CID 65418345
trans-(1R,2R)-2-[[(4R)-8-chloro-3,4-dihydro-2H-chromen-4-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125119661
N-(2-oxooxolan-3-yl)but-2-ynamide
CID 100916282
N-[(3S)-2-oxooxolan-3-yl]but-2-ynamide
CID 45082630

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-4-methyl-2-[(2-oxooxolan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,2S)-4-methyl-2-[(2-oxooxolan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid (CID 114092484) is cis-(1R,2S)-4-methyl-2-[(2-oxooxolan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,2S)-4-methyl-2-[(2-oxooxolan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,2S)-4-methyl-2-[(2-oxooxolan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid is CC1C[C@H](C(=O)NC2CCOC2=O)[C@H](C(=O)O)C1.
What is the InChIKey of cis-(1R,2S)-4-methyl-2-[(2-oxooxolan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is KBGCZHXDSSVTLC-FDNDLASISA-N. The full InChI is InChI=1S/C12H17NO5/c1-6-4-7(8(5-6)11(15)16)10(14)13-9-2-3-18-12(9)17/h6-9H,2-5H2,1H3,(H,13,14)(H,15,16)/t6?,7-,8+,9?/m0/s1.
What are the key properties of cis-(1R,2S)-4-methyl-2-[(2-oxooxolan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid?
cis-(1R,2S)-4-methyl-2-[(2-oxooxolan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 255.27 g/mol, XLogP of 0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-4-methyl-2-[(2-oxooxolan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114092484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).