3-[[4-(carboxymethoxy)piperidine-1-carbonyl]amino]propanoic acid

C11H18N2O6 — CID 142640252

IUPAC3-[[4-(carboxymethoxy)piperidine-1-carbonyl]amino]propanoic acid
SMILESO=C(O)CCNC(=O)N1CCC(OCC(=O)O)CC1
InChIInChI=1S/C11H18N2O6/c14-9(15)1-4-12-11(18)13-5-2-8(3-6-13)19-7-10(16)17/h8H,1-7H2,(H,12,18)(H,14,15)(H,16,17)
InChIKeyKWEYYMBKPSNLBC-UHFFFAOYSA-N
MW274.27 g/mol
LogP-0.26
Rot. Bonds6

About 3-[[4-(carboxymethoxy)piperidine-1-carbonyl]amino]propanoic acid

3-[[4-(carboxymethoxy)piperidine-1-carbonyl]amino]propanoic acid (PubChem CID 142640252) has the molecular formula C11H18N2O6 and a molecular weight of 274.27 g/mol. Its IUPAC name is 3-[[4-(carboxymethoxy)piperidine-1-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[4-(carboxymethoxy)piperidine-1-carbonyl]amino]propanoic acid
PubChem CID142640252
Molecular FormulaC11H18N2O6
Molecular Weight274.27 g/mol
Exact Mass274.12
IUPAC Name3-[[4-(carboxymethoxy)piperidine-1-carbonyl]amino]propanoic acid
SMILESO=C(O)CCNC(=O)N1CCC(OCC(=O)O)CC1
InChIInChI=1S/C11H18N2O6/c14-9(15)1-4-12-11(18)13-5-2-8(3-6-13)19-7-10(16)17/h8H,1-7H2,(H,12,18)(H,14,15)(H,16,17)
InChIKeyKWEYYMBKPSNLBC-UHFFFAOYSA-N
XLogP-0.26
TPSA116.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(2,2,2-Trifluoroethylcarbamoyl)piperidin-4-yl]oxyacetic acid
CID 55251438
4-(3,3,3-Trifluoropropylcarbamoyl)morpholine-2-carboxylic acid
CID 63227863
4-[2-(2,2,2-Trifluoroethoxy)ethylcarbamoyl]morpholine-2-carboxylic acid
CID 63834247
2-[1-(3,3,3-Trifluoropropylcarbamoyl)piperidin-4-yl]oxyacetic acid
CID 63875258
4-[2-(2,2-Difluoroethoxy)ethylcarbamoyl]morpholine-2-carboxylic acid
CID 105918943
2-[1-[2-(2,2-Difluoroethoxy)ethylcarbamoyl]piperidin-4-yl]oxyacetic acid
CID 105919241
2-[1-(4,4,4-Trifluorobutan-2-ylcarbamoyl)piperidin-4-yl]oxyacetic acid
CID 105945254
2-[1-(2,2,3,3-Tetrafluoropropylcarbamoyl)piperidin-4-yl]oxyacetic acid
CID 106295210
2-[1-(2,2-Difluoroethylcarbamoyl)piperidin-4-yl]oxyacetic acid
CID 113303933
4-(4,4,4-Trifluorobutylcarbamoyl)morpholine-2-carboxylic acid
CID 113327945
4-(2,2-Difluoroethylcarbamoyl)morpholine-2-carboxylic acid
CID 115408071
2-[1-(4,4,4-Trifluorobutylcarbamoyl)piperidin-4-yl]oxyacetic acid
CID 115521214

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(carboxymethoxy)piperidine-1-carbonyl]amino]propanoic acid?
The IUPAC name of 3-[[4-(carboxymethoxy)piperidine-1-carbonyl]amino]propanoic acid (CID 142640252) is 3-[[4-(carboxymethoxy)piperidine-1-carbonyl]amino]propanoic acid.
What is the SMILES notation for 3-[[4-(carboxymethoxy)piperidine-1-carbonyl]amino]propanoic acid?
The canonical SMILES for 3-[[4-(carboxymethoxy)piperidine-1-carbonyl]amino]propanoic acid is O=C(O)CCNC(=O)N1CCC(OCC(=O)O)CC1.
What is the InChIKey of 3-[[4-(carboxymethoxy)piperidine-1-carbonyl]amino]propanoic acid?
The InChIKey is KWEYYMBKPSNLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O6/c14-9(15)1-4-12-11(18)13-5-2-8(3-6-13)19-7-10(16)17/h8H,1-7H2,(H,12,18)(H,14,15)(H,16,17).
What are the key properties of 3-[[4-(carboxymethoxy)piperidine-1-carbonyl]amino]propanoic acid?
3-[[4-(carboxymethoxy)piperidine-1-carbonyl]amino]propanoic acid has a molecular weight of 274.27 g/mol, XLogP of -0.26, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(carboxymethoxy)piperidine-1-carbonyl]amino]propanoic acid is sourced from PubChem (CID 142640252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).