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

C12H22N2O5 — CID 81204870

IUPAC2-[[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)N1CCOC(CO)C1)C(=O)O
InChIInChI=1S/C12H22N2O5/c1-2-3-9(11(16)17)6-13-12(18)14-4-5-19-10(7-14)8-15/h9-10,15H,2-8H2,1H3,(H,13,18)(H,16,17)
InChIKeyGGTWLPOKDPKGKU-UHFFFAOYSA-N
MW274.32 g/mol
LogP-0.11
Rot. Bonds6

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

2-[[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]methyl]pentanoic acid (PubChem CID 81204870) has the molecular formula C12H22N2O5 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]methyl]pentanoic acid.

Molecular Properties

Compound Name2-[[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]methyl]pentanoic acid
PubChem CID81204870
Molecular FormulaC12H22N2O5
Molecular Weight274.32 g/mol
Exact Mass274.15
IUPAC Name2-[[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)N1CCOC(CO)C1)C(=O)O
InChIInChI=1S/C12H22N2O5/c1-2-3-9(11(16)17)6-13-12(18)14-4-5-19-10(7-14)8-15/h9-10,15H,2-8H2,1H3,(H,13,18)(H,16,17)
InChIKeyGGTWLPOKDPKGKU-UHFFFAOYSA-N
XLogP-0.11
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(2-methylmorpholine-4-carbonyl)amino]methyl]pentanoic acid
CID 65218037
3-[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]-2-methylpropanoic acid
CID 81204422
2-[[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]methyl]pentanoic acid
CID 65218752
5-[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]-2-methylpentanoic acid
CID 104686844
2-[[[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]amino]methyl]pentanoic acid
CID 114798779
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-[[(3-aminopiperidine-1-carbonyl)amino]methyl]pentanoic acid
CID 65223287
2-[[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]methyl]pentanoic acid
CID 65226566
2-[[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]methyl]butanoic acid
CID 102933894
2-[[[3-(2-hydroxyethyl)piperidine-1-carbonyl]amino]methyl]pentanoic acid
CID 107228296
2-[[(4-acetyl-1,4-diazepane-1-carbonyl)amino]methyl]pentanoic acid
CID 65220702

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]methyl]pentanoic acid?
The IUPAC name of 2-[[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]methyl]pentanoic acid (CID 81204870) is 2-[[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]methyl]pentanoic acid.
What is the SMILES notation for 2-[[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]methyl]pentanoic acid?
The canonical SMILES for 2-[[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]methyl]pentanoic acid is CCCC(CNC(=O)N1CCOC(CO)C1)C(=O)O.
What is the InChIKey of 2-[[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]methyl]pentanoic acid?
The InChIKey is GGTWLPOKDPKGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O5/c1-2-3-9(11(16)17)6-13-12(18)14-4-5-19-10(7-14)8-15/h9-10,15H,2-8H2,1H3,(H,13,18)(H,16,17).
What are the key properties of 2-[[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]methyl]pentanoic acid?
2-[[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]methyl]pentanoic acid has a molecular weight of 274.32 g/mol, XLogP of -0.11, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]methyl]pentanoic acid is sourced from PubChem (CID 81204870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).