2-[ethyl-(1-phenylmethoxycarbonylpiperidin-4-yl)amino]acetic acid

C17H24N2O4 — CID 66564244

IUPAC2-[ethyl-(1-phenylmethoxycarbonylpiperidin-4-yl)amino]acetic acid
SMILESCCN(CC(=O)O)C1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C17H24N2O4/c1-2-18(12-16(20)21)15-8-10-19(11-9-15)17(22)23-13-14-6-4-3-5-7-14/h3-7,15H,2,8-13H2,1H3,(H,20,21)
InChIKeyUFTGKKOWKBQGHZ-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.19
Rot. Bonds6

About 2-[ethyl-(1-phenylmethoxycarbonylpiperidin-4-yl)amino]acetic acid

2-[ethyl-(1-phenylmethoxycarbonylpiperidin-4-yl)amino]acetic acid (PubChem CID 66564244) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-[ethyl-(1-phenylmethoxycarbonylpiperidin-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-(1-phenylmethoxycarbonylpiperidin-4-yl)amino]acetic acid
PubChem CID66564244
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name2-[ethyl-(1-phenylmethoxycarbonylpiperidin-4-yl)amino]acetic acid
SMILESCCN(CC(=O)O)C1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C17H24N2O4/c1-2-18(12-16(20)21)15-8-10-19(11-9-15)17(22)23-13-14-6-4-3-5-7-14/h3-7,15H,2,8-13H2,1H3,(H,20,21)
InChIKeyUFTGKKOWKBQGHZ-UHFFFAOYSA-N
XLogP2.19
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-[(3R)-1-phenylmethoxycarbonylpyrrolidin-3-yl]amino]acetic acid
CID 66563946
benzyl 4-[ethyl(methylsulfanyl)amino]piperidine-1-carboxylate
CID 143775945
benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626
benzyl 4-[acetyl(methyl)amino]piperidine-1-carboxylate
CID 23369982
amino-(1-phenylmethoxycarbonylpiperidin-4-yl)carbamic acid
CID 57102196
benzyl 4-(dimethylamino)azepane-1-carboxylate
CID 59598099
2-[methyl-[(3S)-1-phenylmethoxycarbonylpiperidin-3-yl]amino]acetic acid
CID 66563953
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl 4-bromopiperidine-1-carboxylate
CID 2776275
benzyl 4-(1-aminopropyl)piperidine-1-carboxylate
CID 154815286
benzyl aziridine-1-carboxylate;silane
CID 158496499
benzyl 4-(diethoxymethyl)piperidine-1-carboxylate
CID 170639553

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(1-phenylmethoxycarbonylpiperidin-4-yl)amino]acetic acid?
The IUPAC name of 2-[ethyl-(1-phenylmethoxycarbonylpiperidin-4-yl)amino]acetic acid (CID 66564244) is 2-[ethyl-(1-phenylmethoxycarbonylpiperidin-4-yl)amino]acetic acid.
What is the SMILES notation for 2-[ethyl-(1-phenylmethoxycarbonylpiperidin-4-yl)amino]acetic acid?
The canonical SMILES for 2-[ethyl-(1-phenylmethoxycarbonylpiperidin-4-yl)amino]acetic acid is CCN(CC(=O)O)C1CCN(C(=O)OCc2ccccc2)CC1.
What is the InChIKey of 2-[ethyl-(1-phenylmethoxycarbonylpiperidin-4-yl)amino]acetic acid?
The InChIKey is UFTGKKOWKBQGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-2-18(12-16(20)21)15-8-10-19(11-9-15)17(22)23-13-14-6-4-3-5-7-14/h3-7,15H,2,8-13H2,1H3,(H,20,21).
What are the key properties of 2-[ethyl-(1-phenylmethoxycarbonylpiperidin-4-yl)amino]acetic acid?
2-[ethyl-(1-phenylmethoxycarbonylpiperidin-4-yl)amino]acetic acid has a molecular weight of 320.39 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(1-phenylmethoxycarbonylpiperidin-4-yl)amino]acetic acid is sourced from PubChem (CID 66564244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).