3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-piperidin-4-ylpropanoic acid

C13H24N2O4 — CID 24729684

IUPAC3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-piperidin-4-ylpropanoic acid
SMILESCC(C)(C)OC(=O)NC(CC(=O)O)C1CCNCC1
InChIInChI=1S/C13H24N2O4/c1-13(2,3)19-12(18)15-10(8-11(16)17)9-4-6-14-7-5-9/h9-10,14H,4-8H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyRZBQGLZGJNCPPV-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.35
Rot. Bonds4

About 3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-piperidin-4-ylpropanoic acid

3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-piperidin-4-ylpropanoic acid (PubChem CID 24729684) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-piperidin-4-ylpropanoic acid.

Molecular Properties

Compound Name3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-piperidin-4-ylpropanoic acid
PubChem CID24729684
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-piperidin-4-ylpropanoic acid
SMILESCC(C)(C)OC(=O)NC(CC(=O)O)C1CCNCC1
InChIInChI=1S/C13H24N2O4/c1-13(2,3)19-12(18)15-10(8-11(16)17)9-4-6-14-7-5-9/h9-10,14H,4-8H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyRZBQGLZGJNCPPV-UHFFFAOYSA-N
XLogP1.35
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(1S,2R)-2-(tert-Butoxycarbonylamino)cyclopentanecarboxylic acid
CID 1268163
(1S,2R)-2-(((tert-butoxy)carbonyl)amino)cyclohexane-1-carboxylic acid
CID 1512489
(1S,2S)-Boc-Achc
CID 6987990
(3R,4S)-3-(((tert-butoxy)carbonyl)amino)-4-methylhexanoic acid
CID 11096867
(1R,2R)-2-((Tert-butoxycarbonyl)amino)cyclohexane-1-carboxylic acid
CID 1512488
(1R,2S)-2-(tert-Butoxycarbonylamino)cyclopentanecarboxylic acid
CID 1268160
(1R,2R)-2-(((tert-butoxy)carbonyl)amino)cyclopentane-1-carboxylic acid
CID 1268161
(1S,2S)-2-{[(tert-butoxy)carbonyl]amino}cyclopentane-1-carboxylic acid
CID 1268162
cis-2-((tert-Butoxycarbonyl)amino)cyclohexanecarboxylic acid
CID 1512487
(3S)-3-{[(tert-butoxy)carbonyl]amino}-5-methylhexanoic acid
CID 2761526
3-Tert-butoxycarbonylamino-piperidine-2-carboxylic acid
CID 4072625
(3S)-3-{[(tert-butoxy)carbonyl]amino}hexanoic acid
CID 7015488

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-piperidin-4-ylpropanoic acid?
The IUPAC name of 3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-piperidin-4-ylpropanoic acid (CID 24729684) is 3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-piperidin-4-ylpropanoic acid.
What is the SMILES notation for 3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-piperidin-4-ylpropanoic acid?
The canonical SMILES for 3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-piperidin-4-ylpropanoic acid is CC(C)(C)OC(=O)NC(CC(=O)O)C1CCNCC1.
What is the InChIKey of 3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-piperidin-4-ylpropanoic acid?
The InChIKey is RZBQGLZGJNCPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-13(2,3)19-12(18)15-10(8-11(16)17)9-4-6-14-7-5-9/h9-10,14H,4-8H2,1-3H3,(H,15,18)(H,16,17).
What are the key properties of 3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-piperidin-4-ylpropanoic acid?
3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-piperidin-4-ylpropanoic acid has a molecular weight of 272.34 g/mol, XLogP of 1.35, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-piperidin-4-ylpropanoic acid is sourced from PubChem (CID 24729684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).