cis-(1R,2S)-2-[[4-(hydroxymethyl)oxan-4-yl]carbamoyl]-4-methylcyclopentane-1-carboxylic acid

C14H23NO5 — CID 106296979

IUPACcis-(1R,2S)-2-[[4-(hydroxymethyl)oxan-4-yl]carbamoyl]-4-methylcyclopentane-1-carboxylic acid
SMILESCC1C[C@H](C(=O)NC2(CO)CCOCC2)[C@H](C(=O)O)C1
InChIInChI=1S/C14H23NO5/c1-9-6-10(11(7-9)13(18)19)12(17)15-14(8-16)2-4-20-5-3-14/h9-11,16H,2-8H2,1H3,(H,15,17)(H,18,19)/t9?,10-,11+/m0/s1
InChIKeyHUZADAROGKBVOQ-QXXIUIOUSA-N
MW285.34 g/mol
LogP0.39
Rot. Bonds4

About cis-(1R,2S)-2-[[4-(hydroxymethyl)oxan-4-yl]carbamoyl]-4-methylcyclopentane-1-carboxylic acid

cis-(1R,2S)-2-[[4-(hydroxymethyl)oxan-4-yl]carbamoyl]-4-methylcyclopentane-1-carboxylic acid (PubChem CID 106296979) has the molecular formula C14H23NO5 and a molecular weight of 285.34 g/mol. Its IUPAC name is cis-(1R,2S)-2-[[4-(hydroxymethyl)oxan-4-yl]carbamoyl]-4-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,2S)-2-[[4-(hydroxymethyl)oxan-4-yl]carbamoyl]-4-methylcyclopentane-1-carboxylic acid
PubChem CID106296979
Molecular FormulaC14H23NO5
Molecular Weight285.34 g/mol
Exact Mass285.16
IUPAC Namecis-(1R,2S)-2-[[4-(hydroxymethyl)oxan-4-yl]carbamoyl]-4-methylcyclopentane-1-carboxylic acid
SMILESCC1C[C@H](C(=O)NC2(CO)CCOCC2)[C@H](C(=O)O)C1
InChIInChI=1S/C14H23NO5/c1-9-6-10(11(7-9)13(18)19)12(17)15-14(8-16)2-4-20-5-3-14/h9-11,16H,2-8H2,1H3,(H,15,17)(H,18,19)/t9?,10-,11+/m0/s1
InChIKeyHUZADAROGKBVOQ-QXXIUIOUSA-N
XLogP0.39
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-(hydroxymethyl)oxan-4-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 106296956
2-[[1-(hydroxymethyl)-4-methylcyclohexyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 62553169
N-[4-(hydroxymethyl)oxan-4-yl]-4-methylpyrrolidine-3-carboxamide
CID 106298598
N-[4-(hydroxymethyl)oxan-4-yl]-2-methylpyrrolidine-3-carboxamide
CID 106298994
N-[4-(chloromethyl)oxan-4-yl]-2-methylcyclopropane-1-carboxamide
CID 106300320
[4-(hydroxymethyl)oxan-4-yl]carbamic acid
CID 68806059
[4-[(3,5-dimethylcyclohexyl)amino]oxan-4-yl]methanol
CID 103922946
N-[1-(hydroxymethyl)cyclopropyl]-2-methyloxolane-3-carboxamide
CID 115885935
4-amino-N-[4-(hydroxymethyl)oxan-4-yl]cyclohexane-1-carboxamide
CID 106298573
(2R)-N-[4-(hydroxymethyl)oxan-4-yl]oxolane-2-carboxamide
CID 104630614
1-acetyl-N-[4-(hydroxymethyl)oxan-4-yl]piperidine-4-carboxamide
CID 104630361
2-[(3-methoxyoxolan-3-yl)methylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114391339

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-[[4-(hydroxymethyl)oxan-4-yl]carbamoyl]-4-methylcyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,2S)-2-[[4-(hydroxymethyl)oxan-4-yl]carbamoyl]-4-methylcyclopentane-1-carboxylic acid (CID 106296979) is cis-(1R,2S)-2-[[4-(hydroxymethyl)oxan-4-yl]carbamoyl]-4-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,2S)-2-[[4-(hydroxymethyl)oxan-4-yl]carbamoyl]-4-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,2S)-2-[[4-(hydroxymethyl)oxan-4-yl]carbamoyl]-4-methylcyclopentane-1-carboxylic acid is CC1C[C@H](C(=O)NC2(CO)CCOCC2)[C@H](C(=O)O)C1.
What is the InChIKey of cis-(1R,2S)-2-[[4-(hydroxymethyl)oxan-4-yl]carbamoyl]-4-methylcyclopentane-1-carboxylic acid?
The InChIKey is HUZADAROGKBVOQ-QXXIUIOUSA-N. The full InChI is InChI=1S/C14H23NO5/c1-9-6-10(11(7-9)13(18)19)12(17)15-14(8-16)2-4-20-5-3-14/h9-11,16H,2-8H2,1H3,(H,15,17)(H,18,19)/t9?,10-,11+/m0/s1.
What are the key properties of cis-(1R,2S)-2-[[4-(hydroxymethyl)oxan-4-yl]carbamoyl]-4-methylcyclopentane-1-carboxylic acid?
cis-(1R,2S)-2-[[4-(hydroxymethyl)oxan-4-yl]carbamoyl]-4-methylcyclopentane-1-carboxylic acid has a molecular weight of 285.34 g/mol, XLogP of 0.39, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-[[4-(hydroxymethyl)oxan-4-yl]carbamoyl]-4-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 106296979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).