3-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]piperidin-4-yl]propanoic acid

C15H28N2O4 — CID 90457179

IUPAC3-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]piperidin-4-yl]propanoic acid
SMILESCC(C)(C)OC(=O)NCCN1CCC(CCC(=O)O)CC1
InChIInChI=1S/C15H28N2O4/c1-15(2,3)21-14(20)16-8-11-17-9-6-12(7-10-17)4-5-13(18)19/h12H,4-11H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyNUAQHZVHSGCYHC-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.09
Rot. Bonds6

About 3-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]piperidin-4-yl]propanoic acid

3-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]piperidin-4-yl]propanoic acid (PubChem CID 90457179) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is 3-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]piperidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]piperidin-4-yl]propanoic acid
PubChem CID90457179
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Name3-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]piperidin-4-yl]propanoic acid
SMILESCC(C)(C)OC(=O)NCCN1CCC(CCC(=O)O)CC1
InChIInChI=1S/C15H28N2O4/c1-15(2,3)21-14(20)16-8-11-17-9-6-12(7-10-17)4-5-13(18)19/h12H,4-11H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyNUAQHZVHSGCYHC-UHFFFAOYSA-N
XLogP2.09
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]carbamate
CID 103694373
2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]ethylcarbamic acid
CID 90951819
2-[9-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3,9-diazaspiro[5.5]undecan-3-yl]acetic acid
CID 170976425
tert-butyl N-[2-[1-[2-[(N'-methylcarbamimidoyl)amino]ethyl]pyrrolidin-3-yl]ethyl]carbamate
CID 170130136
2-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidin-1-yl]acetic acid
CID 66566396
2-[1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]piperidin-4-yl]oxyacetic acid
CID 138726762
butanedioic acid;tert-butyl N-(2-piperidin-4-ylethyl)carbamate
CID 19020689
3-[4-[2-[4-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl]piperazin-1-yl]ethyl]piperazin-1-yl]propanoic acid
CID 170919495
tert-butyl N-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidin-1-yl]ethyl]carbamate
CID 142330523
tert-butyl N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]carbamate
CID 141128397
3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;molecular hydrogen
CID 143124264
tert-butyl N-[2-(1-butanoylpiperidin-4-yl)ethyl]carbamate
CID 177056107

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]piperidin-4-yl]propanoic acid?
The IUPAC name of 3-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]piperidin-4-yl]propanoic acid (CID 90457179) is 3-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]piperidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]piperidin-4-yl]propanoic acid?
The canonical SMILES for 3-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]piperidin-4-yl]propanoic acid is CC(C)(C)OC(=O)NCCN1CCC(CCC(=O)O)CC1.
What is the InChIKey of 3-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]piperidin-4-yl]propanoic acid?
The InChIKey is NUAQHZVHSGCYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-15(2,3)21-14(20)16-8-11-17-9-6-12(7-10-17)4-5-13(18)19/h12H,4-11H2,1-3H3,(H,16,20)(H,18,19).
What are the key properties of 3-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]piperidin-4-yl]propanoic acid?
3-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]piperidin-4-yl]propanoic acid has a molecular weight of 300.40 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]piperidin-4-yl]propanoic acid is sourced from PubChem (CID 90457179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).