2-[[2-(hydroxymethyl)piperidine-1-carbonyl]amino]-3-methoxypropanoic acid

C11H20N2O5 — CID 81084776

IUPAC2-[[2-(hydroxymethyl)piperidine-1-carbonyl]amino]-3-methoxypropanoic acid
SMILESCOCC(NC(=O)N1CCCCC1CO)C(=O)O
InChIInChI=1S/C11H20N2O5/c1-18-7-9(10(15)16)12-11(17)13-5-3-2-4-8(13)6-14/h8-9,14H,2-7H2,1H3,(H,12,17)(H,15,16)
InChIKeyKHJFUTSOJLRRPE-UHFFFAOYSA-N
MW260.29 g/mol
LogP-0.36
Rot. Bonds5

About 2-[[2-(hydroxymethyl)piperidine-1-carbonyl]amino]-3-methoxypropanoic acid

2-[[2-(hydroxymethyl)piperidine-1-carbonyl]amino]-3-methoxypropanoic acid (PubChem CID 81084776) has the molecular formula C11H20N2O5 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-[[2-(hydroxymethyl)piperidine-1-carbonyl]amino]-3-methoxypropanoic acid.

Molecular Properties

Compound Name2-[[2-(hydroxymethyl)piperidine-1-carbonyl]amino]-3-methoxypropanoic acid
PubChem CID81084776
Molecular FormulaC11H20N2O5
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Name2-[[2-(hydroxymethyl)piperidine-1-carbonyl]amino]-3-methoxypropanoic acid
SMILESCOCC(NC(=O)N1CCCCC1CO)C(=O)O
InChIInChI=1S/C11H20N2O5/c1-18-7-9(10(15)16)12-11(17)13-5-3-2-4-8(13)6-14/h8-9,14H,2-7H2,1H3,(H,12,17)(H,15,16)
InChIKeyKHJFUTSOJLRRPE-UHFFFAOYSA-N
XLogP-0.36
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[[2-(hydroxymethyl)azepane-1-carbonyl]amino]pentanoic acid
CID 107567722
2-[(2-ethylpiperidine-1-carbonyl)amino]-4-methoxybutanoic acid
CID 62480415
(2R)-2-[[2-(hydroxymethyl)azepane-1-carbonyl]amino]-4-methylsulfanylbutanoic acid
CID 104910645
(2R)-3-hydroxy-2-[(2-propylpiperidine-1-carbonyl)amino]propanoic acid
CID 83055978
2-(azepane-1-carbonylamino)-3-methoxypropanoic acid
CID 81077084
(2S)-4-hydroxy-2-[(2-propylpiperidine-1-carbonyl)amino]butanoic acid
CID 107828734
(2R)-1-[2-[(1-carboxy-2-methoxyethyl)amino]-2-oxoacetyl]piperidine-2-carboxylic acid
CID 81084279
4-methoxy-2-[[2-(methylcarbamoyl)piperidine-1-carbonyl]amino]butanoic acid
CID 62472702
2-[(2-ethylpiperidine-1-carbonyl)amino]-4-methylsulfonylbutanoic acid
CID 61196765
(2S)-2-[(2-ethylpyrrolidine-1-carbonyl)amino]-4-hydroxybutanoic acid
CID 107826455
(2S,3R)-3-hydroxy-2-[[2-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]butanoic acid
CID 104965962
2-(cycloheptanecarbonylamino)-3-methoxypropanoic acid
CID 81077203

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(hydroxymethyl)piperidine-1-carbonyl]amino]-3-methoxypropanoic acid?
The IUPAC name of 2-[[2-(hydroxymethyl)piperidine-1-carbonyl]amino]-3-methoxypropanoic acid (CID 81084776) is 2-[[2-(hydroxymethyl)piperidine-1-carbonyl]amino]-3-methoxypropanoic acid.
What is the SMILES notation for 2-[[2-(hydroxymethyl)piperidine-1-carbonyl]amino]-3-methoxypropanoic acid?
The canonical SMILES for 2-[[2-(hydroxymethyl)piperidine-1-carbonyl]amino]-3-methoxypropanoic acid is COCC(NC(=O)N1CCCCC1CO)C(=O)O.
What is the InChIKey of 2-[[2-(hydroxymethyl)piperidine-1-carbonyl]amino]-3-methoxypropanoic acid?
The InChIKey is KHJFUTSOJLRRPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O5/c1-18-7-9(10(15)16)12-11(17)13-5-3-2-4-8(13)6-14/h8-9,14H,2-7H2,1H3,(H,12,17)(H,15,16).
What are the key properties of 2-[[2-(hydroxymethyl)piperidine-1-carbonyl]amino]-3-methoxypropanoic acid?
2-[[2-(hydroxymethyl)piperidine-1-carbonyl]amino]-3-methoxypropanoic acid has a molecular weight of 260.29 g/mol, XLogP of -0.36, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(hydroxymethyl)piperidine-1-carbonyl]amino]-3-methoxypropanoic acid is sourced from PubChem (CID 81084776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).