2-[1-(carboxymethyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]acetic acid

C14H24N2O6 — CID 112544777

IUPAC2-[1-(carboxymethyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]acetic acid
SMILESCC(C)(C)OC(=O)NC1CC(CC(=O)O)CN(CC(=O)O)C1
InChIInChI=1S/C14H24N2O6/c1-14(2,3)22-13(21)15-10-4-9(5-11(17)18)6-16(7-10)8-12(19)20/h9-10H,4-8H2,1-3H3,(H,15,21)(H,17,18)(H,19,20)
InChIKeyZKNXTUBIARNDBR-UHFFFAOYSA-N
MW316.35 g/mol
LogP0.76
Rot. Bonds5

About 2-[1-(carboxymethyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]acetic acid

2-[1-(carboxymethyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]acetic acid (PubChem CID 112544777) has the molecular formula C14H24N2O6 and a molecular weight of 316.35 g/mol. Its IUPAC name is 2-[1-(carboxymethyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(carboxymethyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]acetic acid
PubChem CID112544777
Molecular FormulaC14H24N2O6
Molecular Weight316.35 g/mol
Exact Mass316.16
IUPAC Name2-[1-(carboxymethyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]acetic acid
SMILESCC(C)(C)OC(=O)NC1CC(CC(=O)O)CN(CC(=O)O)C1
InChIInChI=1S/C14H24N2O6/c1-14(2,3)22-13(21)15-10-4-9(5-11(17)18)6-16(7-10)8-12(19)20/h9-10H,4-8H2,1-3H3,(H,15,21)(H,17,18)(H,19,20)
InChIKeyZKNXTUBIARNDBR-UHFFFAOYSA-N
XLogP0.76
TPSA116.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-1-propylpiperidin-3-yl]acetic acid
CID 112544339
2-[1-(2-amino-2-oxoethyl)-5-(methoxycarbonylamino)piperidin-3-yl]acetic acid
CID 112543553
tert-butyl N-[1-(2-amino-2-oxoethyl)-5-(2,2-dimethylpropyl)piperidin-3-yl]carbamate
CID 112544828
3-[3-ethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]propanoic acid
CID 112544755
ethane;2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]acetic acid
CID 142042736
2-[3-(methoxycarbonylamino)-5-propylpiperidin-1-yl]acetic acid
CID 112543490
tert-butyl N-[1-(2-amino-2-oxoethyl)-5-(2-hydroxybutyl)piperidin-3-yl]carbamate
CID 112544838
methyl 3-[3-ethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]propanoate
CID 112544764
2-[3-(cyclopropylmethyl)-5-(ethoxycarbonylamino)piperidin-1-yl]acetic acid
CID 112544134
tert-butyl N-[1-(cyclobutylmethyl)-5-propylpiperidin-3-yl]carbamate
CID 112544734
tert-butyl N-[1-(2-amino-2-oxoethyl)-5-(1-hydroxypropyl)piperidin-3-yl]carbamate
CID 112544837
2-[1-(2-amino-2-oxoethyl)-5-(methylamino)piperidin-3-yl]acetic acid
CID 83990081

Frequently Asked Questions

What is the IUPAC name of 2-[1-(carboxymethyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(carboxymethyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]acetic acid (CID 112544777) is 2-[1-(carboxymethyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(carboxymethyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(carboxymethyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]acetic acid is CC(C)(C)OC(=O)NC1CC(CC(=O)O)CN(CC(=O)O)C1.
What is the InChIKey of 2-[1-(carboxymethyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]acetic acid?
The InChIKey is ZKNXTUBIARNDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O6/c1-14(2,3)22-13(21)15-10-4-9(5-11(17)18)6-16(7-10)8-12(19)20/h9-10H,4-8H2,1-3H3,(H,15,21)(H,17,18)(H,19,20).
What are the key properties of 2-[1-(carboxymethyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]acetic acid?
2-[1-(carboxymethyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]acetic acid has a molecular weight of 316.35 g/mol, XLogP of 0.76, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(carboxymethyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]acetic acid is sourced from PubChem (CID 112544777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).