2-[ethyl-[1-[(2,4,4-trimethylcyclohexyl)carbamoyl]piperidin-4-yl]amino]acetic acid

C19H35N3O3 — CID 122005078

IUPAC2-[ethyl-[1-[(2,4,4-trimethylcyclohexyl)carbamoyl]piperidin-4-yl]amino]acetic acid
SMILESCCN(CC(=O)O)C1CCN(C(=O)NC2CCC(C)(C)CC2C)CC1
InChIInChI=1S/C19H35N3O3/c1-5-21(13-17(23)24)15-7-10-22(11-8-15)18(25)20-16-6-9-19(3,4)12-14(16)2/h14-16H,5-13H2,1-4H3,(H,20,25)(H,23,24)
InChIKeyNTRWOMHKHKTLPH-UHFFFAOYSA-N
MW353.51 g/mol
LogP2.78
Rot. Bonds5

About 2-[ethyl-[1-[(2,4,4-trimethylcyclohexyl)carbamoyl]piperidin-4-yl]amino]acetic acid

2-[ethyl-[1-[(2,4,4-trimethylcyclohexyl)carbamoyl]piperidin-4-yl]amino]acetic acid (PubChem CID 122005078) has the molecular formula C19H35N3O3 and a molecular weight of 353.51 g/mol. Its IUPAC name is 2-[ethyl-[1-[(2,4,4-trimethylcyclohexyl)carbamoyl]piperidin-4-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[1-[(2,4,4-trimethylcyclohexyl)carbamoyl]piperidin-4-yl]amino]acetic acid
PubChem CID122005078
Molecular FormulaC19H35N3O3
Molecular Weight353.51 g/mol
Exact Mass353.27
IUPAC Name2-[ethyl-[1-[(2,4,4-trimethylcyclohexyl)carbamoyl]piperidin-4-yl]amino]acetic acid
SMILESCCN(CC(=O)O)C1CCN(C(=O)NC2CCC(C)(C)CC2C)CC1
InChIInChI=1S/C19H35N3O3/c1-5-21(13-17(23)24)15-7-10-22(11-8-15)18(25)20-16-6-9-19(3,4)12-14(16)2/h14-16H,5-13H2,1-4H3,(H,20,25)(H,23,24)
InChIKeyNTRWOMHKHKTLPH-UHFFFAOYSA-N
XLogP2.78
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[ethyl-[1-[(2,4,4-trimethylcyclohexyl)carbamoyl]piperidin-4-yl]amino]acetic acid with MolForge

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Related Compounds

2-[(3,3-dimethylcyclopentyl)-ethylamino]acetic acid
CID 80698921
2-[[1-[(3,4-dimethylcyclohexyl)carbamoyl]piperidin-4-yl]-ethylamino]acetic acid
CID 122009847
2-[ethyl-[1-[(3-methoxy-2,2,3-trimethylcyclobutyl)carbamoyl]piperidin-4-yl]amino]acetic acid
CID 122004604
4-(cyclopropylmethoxy)-N-[(1S,2S)-2,4,4-trimethylcyclohexyl]piperidine-1-carboxamide
CID 99813960
2-[ethyl-[1-[2-(3,3,5-trimethylcyclohexyl)ethylcarbamoyl]piperidin-4-yl]amino]acetic acid
CID 122011937
2-[ethyl-[1-[(1-methoxy-4-methylcyclohexyl)methylcarbamoyl]piperidin-4-yl]amino]acetic acid
CID 122012578
2-[ethyl-[1-(2-methylcyclohexanecarbonyl)piperidin-4-yl]amino]acetic acid
CID 122126135
N-[(1S,2R)-2,4,4-trimethylcyclohexyl]acetamide
CID 162401417
2-[ethyl-[1-[[1-(2-methylpropyl)cyclobutyl]methylcarbamoyl]piperidin-4-yl]amino]acetic acid
CID 122006152
2-[[1-[(4,4-dimethylcyclohexyl)carbamoyl]azepan-4-yl]-methylamino]acetic acid
CID 122003478
2-[[3-[(4-cyclopentyloxypiperidine-1-carbonyl)amino]cyclobutyl]-ethylamino]acetic acid
CID 122026751
2-[2-(dimethylamino)ethyl-(2,4,4-trimethylcyclohexyl)amino]acetic acid
CID 107426101

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[1-[(2,4,4-trimethylcyclohexyl)carbamoyl]piperidin-4-yl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[1-[(2,4,4-trimethylcyclohexyl)carbamoyl]piperidin-4-yl]amino]acetic acid (CID 122005078) is 2-[ethyl-[1-[(2,4,4-trimethylcyclohexyl)carbamoyl]piperidin-4-yl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[1-[(2,4,4-trimethylcyclohexyl)carbamoyl]piperidin-4-yl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[1-[(2,4,4-trimethylcyclohexyl)carbamoyl]piperidin-4-yl]amino]acetic acid is CCN(CC(=O)O)C1CCN(C(=O)NC2CCC(C)(C)CC2C)CC1.
What is the InChIKey of 2-[ethyl-[1-[(2,4,4-trimethylcyclohexyl)carbamoyl]piperidin-4-yl]amino]acetic acid?
The InChIKey is NTRWOMHKHKTLPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O3/c1-5-21(13-17(23)24)15-7-10-22(11-8-15)18(25)20-16-6-9-19(3,4)12-14(16)2/h14-16H,5-13H2,1-4H3,(H,20,25)(H,23,24).
What are the key properties of 2-[ethyl-[1-[(2,4,4-trimethylcyclohexyl)carbamoyl]piperidin-4-yl]amino]acetic acid?
2-[ethyl-[1-[(2,4,4-trimethylcyclohexyl)carbamoyl]piperidin-4-yl]amino]acetic acid has a molecular weight of 353.51 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[1-[(2,4,4-trimethylcyclohexyl)carbamoyl]piperidin-4-yl]amino]acetic acid is sourced from PubChem (CID 122005078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).