1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]piperidine-4-carboxylic acid

C14H24N2O5 — CID 127108292

IUPAC1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]piperidine-4-carboxylic acid
SMILESCC(C)(C)OC(=O)NCCC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C14H24N2O5/c1-14(2,3)21-13(20)15-7-4-11(17)16-8-5-10(6-9-16)12(18)19/h10H,4-9H2,1-3H3,(H,15,20)(H,18,19)
InChIKeyKWLUOCVYACKEHI-UHFFFAOYSA-N
MW300.35 g/mol
LogP1.22
Rot. Bonds4

About 1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]piperidine-4-carboxylic acid

1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]piperidine-4-carboxylic acid (PubChem CID 127108292) has the molecular formula C14H24N2O5 and a molecular weight of 300.35 g/mol. Its IUPAC name is 1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]piperidine-4-carboxylic acid
PubChem CID127108292
Molecular FormulaC14H24N2O5
Molecular Weight300.35 g/mol
Exact Mass300.17
IUPAC Name1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]piperidine-4-carboxylic acid
SMILESCC(C)(C)OC(=O)NCCC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C14H24N2O5/c1-14(2,3)21-13(20)15-7-4-11(17)16-8-5-10(6-9-16)12(18)19/h10H,4-9H2,1-3H3,(H,15,20)(H,18,19)
InChIKeyKWLUOCVYACKEHI-UHFFFAOYSA-N
XLogP1.22
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-tert-Butoxycarbonylamino-acetyl)-piperidine-4-carboxylic acid
CID 664919
4-Amino-1-(tert-butoxycarbonyl)piperidine-4-carboxylic acid
CID 693797
1-[(2S)-2-{[(tert-butoxy)carbonyl]amino}-4-methylpentanoyl]piperidine-4-carboxylic acid
CID 2018970
4-([(Tert-butoxy)carbonyl]amino)-2-ethylbutanoic acid
CID 18544405
1-(1,1-Dimethylethyl) 4-(aminomethyl)-1,4-piperidinedicarboxylate
CID 71089163
4-(4-(((Tert-butoxy)carbonyl)amino)piperidin-1-yl)butanoic acid
CID 75430890
1-(2-{[(Tert-butoxy)carbonyl]amino}ethyl)piperidine-4-carboxylic acid
CID 137945166
Methyl 3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidine-4-carboxylate
CID 105519314
(3R,4R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxylic acid
CID 162402427
4-(Methoxymethylcarbamoyl)piperidine-1-carboxylic acid tert-butyl ester
CID 44203202
(2R)-2-ethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 15259325
tert-butyl N-[4-[4-(methylcarbamoyl)piperidin-1-yl]-4-oxobutyl]carbamate
CID 176432976

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]piperidine-4-carboxylic acid (CID 127108292) is 1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]piperidine-4-carboxylic acid is CC(C)(C)OC(=O)NCCC(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]piperidine-4-carboxylic acid?
The InChIKey is KWLUOCVYACKEHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O5/c1-14(2,3)21-13(20)15-7-4-11(17)16-8-5-10(6-9-16)12(18)19/h10H,4-9H2,1-3H3,(H,15,20)(H,18,19).
What are the key properties of 1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]piperidine-4-carboxylic acid?
1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]piperidine-4-carboxylic acid has a molecular weight of 300.35 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 127108292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).