2-[1-[[2-(dimethylamino)-2-methylpropyl]carbamoyl]piperidin-3-yl]acetic acid

C14H27N3O3 — CID 62677015

IUPAC2-[1-[[2-(dimethylamino)-2-methylpropyl]carbamoyl]piperidin-3-yl]acetic acid
SMILESCN(C)C(C)(C)CNC(=O)N1CCCC(CC(=O)O)C1
InChIInChI=1S/C14H27N3O3/c1-14(2,16(3)4)10-15-13(20)17-7-5-6-11(9-17)8-12(18)19/h11H,5-10H2,1-4H3,(H,15,20)(H,18,19)
InChIKeyHTROAQSOKOJFST-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.22
Rot. Bonds5

About 2-[1-[[2-(dimethylamino)-2-methylpropyl]carbamoyl]piperidin-3-yl]acetic acid

2-[1-[[2-(dimethylamino)-2-methylpropyl]carbamoyl]piperidin-3-yl]acetic acid (PubChem CID 62677015) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[1-[[2-(dimethylamino)-2-methylpropyl]carbamoyl]piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[[2-(dimethylamino)-2-methylpropyl]carbamoyl]piperidin-3-yl]acetic acid
PubChem CID62677015
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Name2-[1-[[2-(dimethylamino)-2-methylpropyl]carbamoyl]piperidin-3-yl]acetic acid
SMILESCN(C)C(C)(C)CNC(=O)N1CCCC(CC(=O)O)C1
InChIInChI=1S/C14H27N3O3/c1-14(2,16(3)4)10-15-13(20)17-7-5-6-11(9-17)8-12(18)19/h11H,5-10H2,1-4H3,(H,15,20)(H,18,19)
InChIKeyHTROAQSOKOJFST-UHFFFAOYSA-N
XLogP1.22
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[[2-(dimethylamino)-2-methylpropyl]carbamoyl]piperidine-3-carboxylic acid
CID 81126024
2-[1-[2-(dimethylcarbamoylamino)ethylcarbamoyl]piperidin-3-yl]acetic acid
CID 83113670
2-[1-(2,2,3,3-tetrafluoropropylcarbamoyl)piperidin-3-yl]acetic acid
CID 106295133
2-[1-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]piperidin-3-yl]acetic acid
CID 62978191
1-[[2-(dimethylamino)-2-methylpropyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 63031585
2-[1-[(4-methylcyclohexyl)methylcarbamoyl]piperidin-3-yl]acetic acid
CID 63244628
(3R)-N-[2-(dimethylamino)-2-methylpropyl]-3-[(3-methoxyphenoxy)methyl]piperidine-1-carboxamide
CID 125444364
2-[1-[3-(2,2-dimethylpropanoylamino)propanoyl]piperidin-3-yl]acetic acid
CID 62689900
2-[1-(3-methylsulfanylpropylcarbamoyl)piperidin-3-yl]acetic acid
CID 63958153
2-[1-(4,4,4-trifluorobutylcarbamoyl)piperidin-3-yl]acetic acid
CID 115521318
2-[4-[[2-(dimethylamino)-2-methylpropyl]carbamoyl]-1,4-diazepan-1-yl]acetic acid
CID 62823976
3-[(3-ethylpiperidine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66176994

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-(dimethylamino)-2-methylpropyl]carbamoyl]piperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[[2-(dimethylamino)-2-methylpropyl]carbamoyl]piperidin-3-yl]acetic acid (CID 62677015) is 2-[1-[[2-(dimethylamino)-2-methylpropyl]carbamoyl]piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[[2-(dimethylamino)-2-methylpropyl]carbamoyl]piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[[2-(dimethylamino)-2-methylpropyl]carbamoyl]piperidin-3-yl]acetic acid is CN(C)C(C)(C)CNC(=O)N1CCCC(CC(=O)O)C1.
What is the InChIKey of 2-[1-[[2-(dimethylamino)-2-methylpropyl]carbamoyl]piperidin-3-yl]acetic acid?
The InChIKey is HTROAQSOKOJFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-14(2,16(3)4)10-15-13(20)17-7-5-6-11(9-17)8-12(18)19/h11H,5-10H2,1-4H3,(H,15,20)(H,18,19).
What are the key properties of 2-[1-[[2-(dimethylamino)-2-methylpropyl]carbamoyl]piperidin-3-yl]acetic acid?
2-[1-[[2-(dimethylamino)-2-methylpropyl]carbamoyl]piperidin-3-yl]acetic acid has a molecular weight of 285.39 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-(dimethylamino)-2-methylpropyl]carbamoyl]piperidin-3-yl]acetic acid is sourced from PubChem (CID 62677015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).