2-[[[3-(2-hydroxyethyl)piperidine-1-carbonyl]amino]methyl]pentanoic acid

C14H26N2O4 — CID 107228296

IUPAC2-[[[3-(2-hydroxyethyl)piperidine-1-carbonyl]amino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)N1CCCC(CCO)C1)C(=O)O
InChIInChI=1S/C14H26N2O4/c1-2-4-12(13(18)19)9-15-14(20)16-7-3-5-11(10-16)6-8-17/h11-12,17H,2-10H2,1H3,(H,15,20)(H,18,19)
InChIKeyLYJZJODBOFTQGF-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.29
Rot. Bonds7

About 2-[[[3-(2-hydroxyethyl)piperidine-1-carbonyl]amino]methyl]pentanoic acid

2-[[[3-(2-hydroxyethyl)piperidine-1-carbonyl]amino]methyl]pentanoic acid (PubChem CID 107228296) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-[[[3-(2-hydroxyethyl)piperidine-1-carbonyl]amino]methyl]pentanoic acid.

Molecular Properties

Compound Name2-[[[3-(2-hydroxyethyl)piperidine-1-carbonyl]amino]methyl]pentanoic acid
PubChem CID107228296
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name2-[[[3-(2-hydroxyethyl)piperidine-1-carbonyl]amino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)N1CCCC(CCO)C1)C(=O)O
InChIInChI=1S/C14H26N2O4/c1-2-4-12(13(18)19)9-15-14(20)16-7-3-5-11(10-16)6-8-17/h11-12,17H,2-10H2,1H3,(H,15,20)(H,18,19)
InChIKeyLYJZJODBOFTQGF-UHFFFAOYSA-N
XLogP1.29
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]amino]methyl]pentanoic acid
CID 114798779
2-[[(3-aminopiperidine-1-carbonyl)amino]methyl]pentanoic acid
CID 65223287
2-[[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]methyl]pentanoic acid
CID 65218752
2-[(azepane-1-carbonylamino)methyl]pentanoic acid
CID 65217882
2-[(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonylamino)methyl]pentanoic acid
CID 65223617
2-[[(4-acetyl-1,4-diazepane-1-carbonyl)amino]methyl]pentanoic acid
CID 65220702
2-[[[3-(2-hydroxyethyl)piperidine-1-carbonyl]amino]methyl]-2-methylbutanoic acid
CID 107228226
(2R)-2-[[3-(2-hydroxyethyl)piperidine-1-carbonyl]amino]-3,3-dimethylbutanoic acid
CID 107228211
2-[[[3-(2-hydroxyethyl)piperidine-1-carbonyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 107228315
2-[[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]methyl]pentanoic acid
CID 81204870
2-[[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]methyl]pentanoic acid
CID 65226566
2-[[(2-methylmorpholine-4-carbonyl)amino]methyl]pentanoic acid
CID 65218037

Frequently Asked Questions

What is the IUPAC name of 2-[[[3-(2-hydroxyethyl)piperidine-1-carbonyl]amino]methyl]pentanoic acid?
The IUPAC name of 2-[[[3-(2-hydroxyethyl)piperidine-1-carbonyl]amino]methyl]pentanoic acid (CID 107228296) is 2-[[[3-(2-hydroxyethyl)piperidine-1-carbonyl]amino]methyl]pentanoic acid.
What is the SMILES notation for 2-[[[3-(2-hydroxyethyl)piperidine-1-carbonyl]amino]methyl]pentanoic acid?
The canonical SMILES for 2-[[[3-(2-hydroxyethyl)piperidine-1-carbonyl]amino]methyl]pentanoic acid is CCCC(CNC(=O)N1CCCC(CCO)C1)C(=O)O.
What is the InChIKey of 2-[[[3-(2-hydroxyethyl)piperidine-1-carbonyl]amino]methyl]pentanoic acid?
The InChIKey is LYJZJODBOFTQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-2-4-12(13(18)19)9-15-14(20)16-7-3-5-11(10-16)6-8-17/h11-12,17H,2-10H2,1H3,(H,15,20)(H,18,19).
What are the key properties of 2-[[[3-(2-hydroxyethyl)piperidine-1-carbonyl]amino]methyl]pentanoic acid?
2-[[[3-(2-hydroxyethyl)piperidine-1-carbonyl]amino]methyl]pentanoic acid has a molecular weight of 286.37 g/mol, XLogP of 1.29, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[3-(2-hydroxyethyl)piperidine-1-carbonyl]amino]methyl]pentanoic acid is sourced from PubChem (CID 107228296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).