10-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]decanoic acid

C20H38N2O4 — CID 151766900

IUPAC10-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]decanoic acid
SMILESCC(C)(C)OC(=O)NC1(CCCCCCCCCC(=O)O)CCNCC1
InChIInChI=1S/C20H38N2O4/c1-19(2,3)26-18(25)22-20(13-15-21-16-14-20)12-10-8-6-4-5-7-9-11-17(23)24/h21H,4-16H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyRRTQYEALPFEQMB-UHFFFAOYSA-N
MW370.53 g/mol
LogP4.23
Rot. Bonds11

About 10-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]decanoic acid

10-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]decanoic acid (PubChem CID 151766900) has the molecular formula C20H38N2O4 and a molecular weight of 370.53 g/mol. Its IUPAC name is 10-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]decanoic acid.

Molecular Properties

Compound Name10-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]decanoic acid
PubChem CID151766900
Molecular FormulaC20H38N2O4
Molecular Weight370.53 g/mol
Exact Mass370.28
IUPAC Name10-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]decanoic acid
SMILESCC(C)(C)OC(=O)NC1(CCCCCCCCCC(=O)O)CCNCC1
InChIInChI=1S/C20H38N2O4/c1-19(2,3)26-18(25)22-20(13-15-21-16-14-20)12-10-8-6-4-5-7-9-11-17(23)24/h21H,4-16H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyRRTQYEALPFEQMB-UHFFFAOYSA-N
XLogP4.23
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.53
LogP ≤ 54.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]propanoic acid
CID 56990247
methyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]acetate
CID 167738112
tert-butyl N-[1-(5-oxoheptyl)cyclohexyl]carbamate
CID 174894028
tert-butyl N-[1-[3-(methylamino)propyl]cyclopropyl]carbamate
CID 115071660
tert-butyl N-[1-[4-(methylamino)butyl]cyclohexyl]carbamate
CID 115071731
tert-butyl N-[1-(3-hydroxypropyl)cyclohexyl]carbamate
CID 99988243
tert-butyl N-[3-(fluorooxymethyl)pyrrolidin-3-yl]carbamate
CID 170207829
(4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]azepane-4-carboxylic acid
CID 40630548
2-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]butanoic acid
CID 146204300
tert-butyl N-(3-ethylpiperidin-3-yl)carbamate
CID 84726051
tert-butyl N-[3-(fluoromethyl)azetidin-3-yl]carbamate
CID 135392464
2-tert-butyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]octanedioic acid
CID 21327015

Frequently Asked Questions

What is the IUPAC name of 10-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]decanoic acid?
The IUPAC name of 10-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]decanoic acid (CID 151766900) is 10-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]decanoic acid.
What is the SMILES notation for 10-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]decanoic acid?
The canonical SMILES for 10-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]decanoic acid is CC(C)(C)OC(=O)NC1(CCCCCCCCCC(=O)O)CCNCC1.
What is the InChIKey of 10-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]decanoic acid?
The InChIKey is RRTQYEALPFEQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N2O4/c1-19(2,3)26-18(25)22-20(13-15-21-16-14-20)12-10-8-6-4-5-7-9-11-17(23)24/h21H,4-16H2,1-3H3,(H,22,25)(H,23,24).
What are the key properties of 10-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]decanoic acid?
10-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]decanoic acid has a molecular weight of 370.53 g/mol, XLogP of 4.23, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]decanoic acid is sourced from PubChem (CID 151766900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).