trans-(1R,2R)-2-[[2-(hydroxyamino)-2-oxoethyl]-methylcarbamoyl]cyclopentane-1-carboxylic acid

C10H16N2O5 — CID 10037452

IUPACtrans-(1R,2R)-2-[[2-(hydroxyamino)-2-oxoethyl]-methylcarbamoyl]cyclopentane-1-carboxylic acid
SMILESCN(CC(=O)NO)C(=O)[C@@H]1CCC[C@H]1C(=O)O
InChIInChI=1S/C10H16N2O5/c1-12(5-8(13)11-17)9(14)6-3-2-4-7(6)10(15)16/h6-7,17H,2-5H2,1H3,(H,11,13)(H,15,16)/t6-,7-/m1/s1
InChIKeyVIPHGPCCWVUWJA-RNFRBKRXSA-N
MW244.25 g/mol
LogP-0.55
Rot. Bonds4

About trans-(1R,2R)-2-[[2-(hydroxyamino)-2-oxoethyl]-methylcarbamoyl]cyclopentane-1-carboxylic acid

trans-(1R,2R)-2-[[2-(hydroxyamino)-2-oxoethyl]-methylcarbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 10037452) has the molecular formula C10H16N2O5 and a molecular weight of 244.25 g/mol. Its IUPAC name is trans-(1R,2R)-2-[[2-(hydroxyamino)-2-oxoethyl]-methylcarbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[[2-(hydroxyamino)-2-oxoethyl]-methylcarbamoyl]cyclopentane-1-carboxylic acid
PubChem CID10037452
Molecular FormulaC10H16N2O5
Molecular Weight244.25 g/mol
Exact Mass244.11
IUPAC Nametrans-(1R,2R)-2-[[2-(hydroxyamino)-2-oxoethyl]-methylcarbamoyl]cyclopentane-1-carboxylic acid
SMILESCN(CC(=O)NO)C(=O)[C@@H]1CCC[C@H]1C(=O)O
InChIInChI=1S/C10H16N2O5/c1-12(5-8(13)11-17)9(14)6-3-2-4-7(6)10(15)16/h6-7,17H,2-5H2,1H3,(H,11,13)(H,15,16)/t6-,7-/m1/s1
InChIKeyVIPHGPCCWVUWJA-RNFRBKRXSA-N
XLogP-0.55
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(tert-butylamino)-2-oxoethyl]-methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103978319
2-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103978420
2-[(2-amino-2-oxoethyl)-methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103977737
2-[2-hydroxyethyl(methyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978359
2-[methyl-[2-(methylamino)ethyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103978815
2-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103978797
2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 60948599
2-[methyl(3,3,3-trifluoropropyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978888
3-amino-N,2-dimethyl-N-[2-(methylamino)-2-oxoethyl]cyclohexane-1-carboxamide
CID 62782674
2-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974465
2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974436
2-[[2-(hydroxyamino)-2-oxoethyl]-methylcarbamoyl]-1-methylcyclohexane-1-carboxylic acid
CID 57090701

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[[2-(hydroxyamino)-2-oxoethyl]-methylcarbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of trans-(1R,2R)-2-[[2-(hydroxyamino)-2-oxoethyl]-methylcarbamoyl]cyclopentane-1-carboxylic acid (CID 10037452) is trans-(1R,2R)-2-[[2-(hydroxyamino)-2-oxoethyl]-methylcarbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,2R)-2-[[2-(hydroxyamino)-2-oxoethyl]-methylcarbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for trans-(1R,2R)-2-[[2-(hydroxyamino)-2-oxoethyl]-methylcarbamoyl]cyclopentane-1-carboxylic acid is CN(CC(=O)NO)C(=O)[C@@H]1CCC[C@H]1C(=O)O.
What is the InChIKey of trans-(1R,2R)-2-[[2-(hydroxyamino)-2-oxoethyl]-methylcarbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is VIPHGPCCWVUWJA-RNFRBKRXSA-N. The full InChI is InChI=1S/C10H16N2O5/c1-12(5-8(13)11-17)9(14)6-3-2-4-7(6)10(15)16/h6-7,17H,2-5H2,1H3,(H,11,13)(H,15,16)/t6-,7-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[[2-(hydroxyamino)-2-oxoethyl]-methylcarbamoyl]cyclopentane-1-carboxylic acid?
trans-(1R,2R)-2-[[2-(hydroxyamino)-2-oxoethyl]-methylcarbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 244.25 g/mol, XLogP of -0.55, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[[2-(hydroxyamino)-2-oxoethyl]-methylcarbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 10037452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).