2-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]-(2-methylpropyl)amino]acetic acid

C14H26N2O5 — CID 82016011

IUPAC2-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]-(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)N1CCC(OCCO)CC1
InChIInChI=1S/C14H26N2O5/c1-11(2)9-16(10-13(18)19)14(20)15-5-3-12(4-6-15)21-8-7-17/h11-12,17H,3-10H2,1-2H3,(H,18,19)
InChIKeyTXVKSEPLDBTBBV-UHFFFAOYSA-N
MW302.37 g/mol
LogP0.62
Rot. Bonds7

About 2-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]-(2-methylpropyl)amino]acetic acid

2-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]-(2-methylpropyl)amino]acetic acid (PubChem CID 82016011) has the molecular formula C14H26N2O5 and a molecular weight of 302.37 g/mol. Its IUPAC name is 2-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]-(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]-(2-methylpropyl)amino]acetic acid
PubChem CID82016011
Molecular FormulaC14H26N2O5
Molecular Weight302.37 g/mol
Exact Mass302.18
IUPAC Name2-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]-(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)N1CCC(OCCO)CC1
InChIInChI=1S/C14H26N2O5/c1-11(2)9-16(10-13(18)19)14(20)15-5-3-12(4-6-15)21-8-7-17/h11-12,17H,3-10H2,1-2H3,(H,18,19)
InChIKeyTXVKSEPLDBTBBV-UHFFFAOYSA-N
XLogP0.62
TPSA90.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-methylpropyl-(3-methylpyrrolidine-1-carbonyl)amino]acetic acid
CID 63064206
2-[(4-acetylpiperazine-1-carbonyl)-(2-methylpropyl)amino]acetic acid
CID 63065252
2-[(4-ethoxypiperidine-1-carbonyl)-ethylamino]acetic acid
CID 61216523
2-[[3-(dimethylamino)pyrrolidine-1-carbonyl]-(2-methylpropyl)amino]acetic acid
CID 63548304
3-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]butanoic acid
CID 82691194
4-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]-3-methylbutanoic acid
CID 82690900
2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)-(2-methylpropyl)amino]acetic acid
CID 81115479
(2S)-2-amino-1-[4-(2-hydroxyethoxy)piperidin-1-yl]-3-methylbutan-1-one
CID 82696226
2-[(4-tert-butylpiperazine-1-carbonyl)-(2-methylpropyl)amino]acetic acid
CID 63064386
4-hydroxy-1-[4-(2-hydroxyethoxy)piperidin-1-yl]pentan-1-one
CID 82693542
2-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]-3-methylbutanoic acid
CID 82691048
2-[(3-ethylpiperidine-1-carbonyl)-(2-methylpropyl)amino]acetic acid
CID 63064381

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]-(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]-(2-methylpropyl)amino]acetic acid (CID 82016011) is 2-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]-(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]-(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]-(2-methylpropyl)amino]acetic acid is CC(C)CN(CC(=O)O)C(=O)N1CCC(OCCO)CC1.
What is the InChIKey of 2-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]-(2-methylpropyl)amino]acetic acid?
The InChIKey is TXVKSEPLDBTBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O5/c1-11(2)9-16(10-13(18)19)14(20)15-5-3-12(4-6-15)21-8-7-17/h11-12,17H,3-10H2,1-2H3,(H,18,19).
What are the key properties of 2-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]-(2-methylpropyl)amino]acetic acid?
2-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]-(2-methylpropyl)amino]acetic acid has a molecular weight of 302.37 g/mol, XLogP of 0.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]-(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 82016011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).