cis-(1R,3S)-3-[3-(oxan-2-yl)propanoylamino]cyclopentane-1-carboxylic acid

C14H23NO4 — CID 106320914

IUPACcis-(1R,3S)-3-[3-(oxan-2-yl)propanoylamino]cyclopentane-1-carboxylic acid
SMILESO=C(CCC1CCCCO1)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C14H23NO4/c16-13(7-6-12-3-1-2-8-19-12)15-11-5-4-10(9-11)14(17)18/h10-12H,1-9H2,(H,15,16)(H,17,18)/t10-,11+,12?/m1/s1
InChIKeySLOTUGVNEYFRPQ-UBNQGINQSA-N
MW269.34 g/mol
LogP1.71
Rot. Bonds5

About cis-(1R,3S)-3-[3-(oxan-2-yl)propanoylamino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[3-(oxan-2-yl)propanoylamino]cyclopentane-1-carboxylic acid (PubChem CID 106320914) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is cis-(1R,3S)-3-[3-(oxan-2-yl)propanoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[3-(oxan-2-yl)propanoylamino]cyclopentane-1-carboxylic acid
PubChem CID106320914
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Namecis-(1R,3S)-3-[3-(oxan-2-yl)propanoylamino]cyclopentane-1-carboxylic acid
SMILESO=C(CCC1CCCCO1)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C14H23NO4/c16-13(7-6-12-3-1-2-8-19-12)15-11-5-4-10(9-11)14(17)18/h10-12H,1-9H2,(H,15,16)(H,17,18)/t10-,11+,12?/m1/s1
InChIKeySLOTUGVNEYFRPQ-UBNQGINQSA-N
XLogP1.71
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(oxan-2-yl)propanoylamino]cyclopentane-1-carboxylic acid
CID 66030722
N-(3-methylcyclopentyl)-3-(oxolan-2-yl)propanamide
CID 114549731
N-(2-methylpiperidin-4-yl)-3-(oxan-2-yl)propanamide
CID 106995469
N-(4-methylcyclohexyl)-3-[(2R)-oxolan-2-yl]propanamide
CID 51728648
3-(oxan-2-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 66032045
3-(oxan-2-yl)-N-piperidin-4-ylpropanamide;hydrochloride
CID 119386884
N-(4-oxocyclohexyl)-3-(oxolan-2-yl)propanamide
CID 65155572
4-[3-(oxolan-2-yl)propanoylamino]oxolane-3-carboxylic acid
CID 66222668
cis-(1R,3S)-3-(4-cyclohexylbutanoylamino)cyclopentane-1-carboxylic acid
CID 106320958
N-[2-(bromomethyl)cyclohexyl]-3-(oxan-2-yl)propanamide
CID 106367229
1-cyclopropyl-3-(oxan-2-yl)propan-1-one
CID 79416719
4-[3-(oxan-2-yl)propanoylamino]butanoic acid
CID 63953918

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[3-(oxan-2-yl)propanoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[3-(oxan-2-yl)propanoylamino]cyclopentane-1-carboxylic acid (CID 106320914) is cis-(1R,3S)-3-[3-(oxan-2-yl)propanoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[3-(oxan-2-yl)propanoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[3-(oxan-2-yl)propanoylamino]cyclopentane-1-carboxylic acid is O=C(CCC1CCCCO1)N[C@H]1CC[C@@H](C(=O)O)C1.
What is the InChIKey of cis-(1R,3S)-3-[3-(oxan-2-yl)propanoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is SLOTUGVNEYFRPQ-UBNQGINQSA-N. The full InChI is InChI=1S/C14H23NO4/c16-13(7-6-12-3-1-2-8-19-12)15-11-5-4-10(9-11)14(17)18/h10-12H,1-9H2,(H,15,16)(H,17,18)/t10-,11+,12?/m1/s1.
What are the key properties of cis-(1R,3S)-3-[3-(oxan-2-yl)propanoylamino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[3-(oxan-2-yl)propanoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 269.34 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[3-(oxan-2-yl)propanoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106320914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).