2-[(2R)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]acetic acid

C13H24N2O4 — CID 96553784

IUPAC2-[(2R)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]acetic acid
SMILESCC(C)(C)OC(=O)NC[C@H]1CCCCN1CC(=O)O
InChIInChI=1S/C13H24N2O4/c1-13(2,3)19-12(18)14-8-10-6-4-5-7-15(10)9-11(16)17/h10H,4-9H2,1-3H3,(H,14,18)(H,16,17)/t10-/m1/s1
InChIKeyGKQDTAZDQABDDV-SNVBAGLBSA-N
MW272.34 g/mol
LogP1.45
Rot. Bonds4

About 2-[(2R)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]acetic acid

2-[(2R)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]acetic acid (PubChem CID 96553784) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 2-[(2R)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[(2R)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]acetic acid
PubChem CID96553784
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name2-[(2R)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]acetic acid
SMILESCC(C)(C)OC(=O)NC[C@H]1CCCCN1CC(=O)O
InChIInChI=1S/C13H24N2O4/c1-13(2,3)19-12(18)14-8-10-6-4-5-7-15(10)9-11(16)17/h10H,4-9H2,1-3H3,(H,14,18)(H,16,17)/t10-/m1/s1
InChIKeyGKQDTAZDQABDDV-SNVBAGLBSA-N
XLogP1.45
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(2R)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]acetic acid with MolForge

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Related Compounds

tert-butyl N-[[1-(2-methoxyethyl)piperidin-2-yl]methyl]carbamate
CID 60606736
tert-butyl N-[(1-methylpiperidin-2-yl)methyl]carbamate
CID 62196160
2-[2-(acetamidomethyl)piperidin-1-yl]acetic acid
CID 66567736
tert-butyl N-[[(2S)-1-pent-3-ynylpiperidin-2-yl]methyl]carbamate
CID 97308407
tert-butyl N-[(1-cyclopropylpiperidin-2-yl)methyl]carbamate
CID 175669782
tert-butyl N-[[(2R)-1-(2-oxo-2-thiophen-2-ylethyl)piperidin-2-yl]methyl]carbamate
CID 97174280
tert-butyl N-[[1-(2-oxo-2-thiophen-2-ylethyl)piperidin-2-yl]methyl]carbamate
CID 71632253
2-[2-[[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]pyrrolidin-1-yl]acetic acid
CID 121230344
tert-butyl N-[[1-[(4-chlorophenyl)methyl]piperidin-2-yl]methyl]carbamate
CID 83982523
tert-butyl N-[[1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperidin-2-yl]methyl]carbamate
CID 51128046
tert-butyl N-[(1-methylsulfonylpiperidin-2-yl)methyl]carbamate
CID 59478990
2-[2-[(cyclopropylmethylamino)methyl]piperidin-1-yl]acetic acid
CID 121230281

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]acetic acid?
The IUPAC name of 2-[(2R)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]acetic acid (CID 96553784) is 2-[(2R)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]acetic acid.
What is the SMILES notation for 2-[(2R)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]acetic acid?
The canonical SMILES for 2-[(2R)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]acetic acid is CC(C)(C)OC(=O)NC[C@H]1CCCCN1CC(=O)O.
What is the InChIKey of 2-[(2R)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]acetic acid?
The InChIKey is GKQDTAZDQABDDV-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-13(2,3)19-12(18)14-8-10-6-4-5-7-15(10)9-11(16)17/h10H,4-9H2,1-3H3,(H,14,18)(H,16,17)/t10-/m1/s1.
What are the key properties of 2-[(2R)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]acetic acid?
2-[(2R)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]acetic acid has a molecular weight of 272.34 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]acetic acid is sourced from PubChem (CID 96553784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).