cis-(1S,2R)-2-[4-(acetamidomethyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid

C13H20N2O4 — CID 114093135

IUPACcis-(1S,2R)-2-[4-(acetamidomethyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
SMILESCC(=O)NCC1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)O)CC1
InChIInChI=1S/C13H20N2O4/c1-8(16)14-7-9-2-4-15(5-3-9)12(17)10-6-11(10)13(18)19/h9-11H,2-7H2,1H3,(H,14,16)(H,18,19)/t10-,11+/m1/s1
InChIKeyDIVCHQYAVZCCQM-MNOVXSKESA-N
MW268.31 g/mol
LogP0.08
Rot. Bonds4

About cis-(1S,2R)-2-[4-(acetamidomethyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid

cis-(1S,2R)-2-[4-(acetamidomethyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid (PubChem CID 114093135) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is cis-(1S,2R)-2-[4-(acetamidomethyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,2R)-2-[4-(acetamidomethyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
PubChem CID114093135
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Namecis-(1S,2R)-2-[4-(acetamidomethyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
SMILESCC(=O)NCC1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)O)CC1
InChIInChI=1S/C13H20N2O4/c1-8(16)14-7-9-2-4-15(5-3-9)12(17)10-6-11(10)13(18)19/h9-11H,2-7H2,1H3,(H,14,16)(H,18,19)/t10-,11+/m1/s1
InChIKeyDIVCHQYAVZCCQM-MNOVXSKESA-N
XLogP0.08
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[(1R,2R)-2-cyclobutylcyclopropanecarbonyl]piperidin-4-yl]methyl]acetamide
CID 99775405
2-[4-(methoxymethyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 63971917
N-[[1-(4-methylpiperidine-1-carbonyl)piperidin-4-yl]methyl]acetamide
CID 102736162
3-[4-(acetamidomethyl)piperidin-1-yl]-3-oxopropanoic acid
CID 102736982
1-[4-(acetamidomethyl)piperidine-1-carbonyl]azetidine-3-carboxylic acid
CID 102736737
N-[[1-(3-methylpyrrolidine-2-carbonyl)piperidin-4-yl]methyl]acetamide
CID 102780192
1-[4-(acetamidomethyl)piperidine-1-carbonyl]pyrrolidine-3-carboxylic acid
CID 102736752
cis-(1S,2R)-2-(4-cyclopentyloxypiperidine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 129467392
2-(3-propylpyrrolidine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 115730377
N-[[1-[(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperidin-4-yl]methyl]acetamide
CID 94182591
2-[4-(ethylcarbamoyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 60953640
[4-(ethylaminomethyl)piperidin-1-yl]-(2-methylcyclopropyl)methanone
CID 80552587

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[4-(acetamidomethyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1S,2R)-2-[4-(acetamidomethyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid (CID 114093135) is cis-(1S,2R)-2-[4-(acetamidomethyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,2R)-2-[4-(acetamidomethyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1S,2R)-2-[4-(acetamidomethyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid is CC(=O)NCC1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)O)CC1.
What is the InChIKey of cis-(1S,2R)-2-[4-(acetamidomethyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid?
The InChIKey is DIVCHQYAVZCCQM-MNOVXSKESA-N. The full InChI is InChI=1S/C13H20N2O4/c1-8(16)14-7-9-2-4-15(5-3-9)12(17)10-6-11(10)13(18)19/h9-11H,2-7H2,1H3,(H,14,16)(H,18,19)/t10-,11+/m1/s1.
What are the key properties of cis-(1S,2R)-2-[4-(acetamidomethyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid?
cis-(1S,2R)-2-[4-(acetamidomethyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid has a molecular weight of 268.31 g/mol, XLogP of 0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-[4-(acetamidomethyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 114093135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).