2-[[(2-methylmorpholine-4-carbonyl)amino]methyl]pentanoic acid

C12H22N2O4 — CID 65218037

IUPAC2-[[(2-methylmorpholine-4-carbonyl)amino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)N1CCOC(C)C1)C(=O)O
InChIInChI=1S/C12H22N2O4/c1-3-4-10(11(15)16)7-13-12(17)14-5-6-18-9(2)8-14/h9-10H,3-8H2,1-2H3,(H,13,17)(H,15,16)
InChIKeySZEDCCCHOAULBV-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.92
Rot. Bonds5

About 2-[[(2-methylmorpholine-4-carbonyl)amino]methyl]pentanoic acid

2-[[(2-methylmorpholine-4-carbonyl)amino]methyl]pentanoic acid (PubChem CID 65218037) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[[(2-methylmorpholine-4-carbonyl)amino]methyl]pentanoic acid.

Molecular Properties

Compound Name2-[[(2-methylmorpholine-4-carbonyl)amino]methyl]pentanoic acid
PubChem CID65218037
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name2-[[(2-methylmorpholine-4-carbonyl)amino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)N1CCOC(C)C1)C(=O)O
InChIInChI=1S/C12H22N2O4/c1-3-4-10(11(15)16)7-13-12(17)14-5-6-18-9(2)8-14/h9-10H,3-8H2,1-2H3,(H,13,17)(H,15,16)
InChIKeySZEDCCCHOAULBV-UHFFFAOYSA-N
XLogP0.92
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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-[(azepane-1-carbonylamino)methyl]pentanoic acid
CID 65217882
2-[[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]methyl]pentanoic acid
CID 65218752
2-[[(3-aminopiperidine-1-carbonyl)amino]methyl]pentanoic acid
CID 65223287
2-[(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonylamino)methyl]pentanoic acid
CID 65223617
2-[[[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]amino]methyl]pentanoic acid
CID 114798779
(2R)-N-[(2R)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-methylmorpholine-4-carboxamide
CID 95967596
2-[[(4-acetyl-1,4-diazepane-1-carbonyl)amino]methyl]pentanoic acid
CID 65220702
3-[[(2-methyl-1,4-oxazepane-4-carbonyl)amino]methyl]pentanoic acid
CID 81070041
2-[[[3-(2-hydroxyethyl)piperidine-1-carbonyl]amino]methyl]pentanoic acid
CID 107228296
(2S)-2-methyl-N-propan-2-ylmorpholine-4-carboxamide
CID 167135155

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-methylmorpholine-4-carbonyl)amino]methyl]pentanoic acid?
The IUPAC name of 2-[[(2-methylmorpholine-4-carbonyl)amino]methyl]pentanoic acid (CID 65218037) is 2-[[(2-methylmorpholine-4-carbonyl)amino]methyl]pentanoic acid.
What is the SMILES notation for 2-[[(2-methylmorpholine-4-carbonyl)amino]methyl]pentanoic acid?
The canonical SMILES for 2-[[(2-methylmorpholine-4-carbonyl)amino]methyl]pentanoic acid is CCCC(CNC(=O)N1CCOC(C)C1)C(=O)O.
What is the InChIKey of 2-[[(2-methylmorpholine-4-carbonyl)amino]methyl]pentanoic acid?
The InChIKey is SZEDCCCHOAULBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-3-4-10(11(15)16)7-13-12(17)14-5-6-18-9(2)8-14/h9-10H,3-8H2,1-2H3,(H,13,17)(H,15,16).
What are the key properties of 2-[[(2-methylmorpholine-4-carbonyl)amino]methyl]pentanoic acid?
2-[[(2-methylmorpholine-4-carbonyl)amino]methyl]pentanoic acid has a molecular weight of 258.32 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-methylmorpholine-4-carbonyl)amino]methyl]pentanoic acid is sourced from PubChem (CID 65218037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).