3-[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]-2-methylpropanoic acid

C10H18N2O5 — CID 81204422

IUPAC3-[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]-2-methylpropanoic acid
SMILESCC(CNC(=O)N1CCOC(CO)C1)C(=O)O
InChIInChI=1S/C10H18N2O5/c1-7(9(14)15)4-11-10(16)12-2-3-17-8(5-12)6-13/h7-8,13H,2-6H2,1H3,(H,11,16)(H,14,15)
InChIKeyGVPYGDPYSIMRSK-UHFFFAOYSA-N
MW246.26 g/mol
LogP-0.89
Rot. Bonds4

About 3-[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]-2-methylpropanoic acid

3-[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]-2-methylpropanoic acid (PubChem CID 81204422) has the molecular formula C10H18N2O5 and a molecular weight of 246.26 g/mol. Its IUPAC name is 3-[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]-2-methylpropanoic acid
PubChem CID81204422
Molecular FormulaC10H18N2O5
Molecular Weight246.26 g/mol
Exact Mass246.12
IUPAC Name3-[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]-2-methylpropanoic acid
SMILESCC(CNC(=O)N1CCOC(CO)C1)C(=O)O
InChIInChI=1S/C10H18N2O5/c1-7(9(14)15)4-11-10(16)12-2-3-17-8(5-12)6-13/h7-8,13H,2-6H2,1H3,(H,11,16)(H,14,15)
InChIKeyGVPYGDPYSIMRSK-UHFFFAOYSA-N
XLogP-0.89
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 5-0.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]-2-methylpentanoic acid
CID 104686844
2-[[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]methyl]pentanoic acid
CID 81204870
3-[[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]-2-methylpropanoic acid
CID 104959652
N-(2-aminoethyl)-2-ethylmorpholine-4-carboxamide
CID 82506232
2-[4-(3-methylbutylcarbamoyl)morpholin-2-yl]acetic acid
CID 66435211
2-(hydroxymethyl)-N-[3-(4-propan-2-ylphenyl)propyl]morpholine-4-carboxamide
CID 71924014
3-(azocane-1-carbonylamino)-2-methylpropanoic acid
CID 62669756
3-(azepane-1-carbonylamino)-2-methylpropanoic acid
CID 62671321
N-(2-aminoethyl)-2-[2-(hydroxymethyl)morpholin-4-yl]-2-oxoacetamide
CID 81206421
4-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]morpholine-2-carboxylic acid
CID 102907152
3-[(4-hydroxypiperidine-1-carbonyl)amino]-2-methylpropanoic acid
CID 62670284
2-methyl-3-[(3,4,5-trimethylpiperazine-1-carbonyl)amino]propanoic acid
CID 114538694

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]-2-methylpropanoic acid?
The IUPAC name of 3-[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]-2-methylpropanoic acid (CID 81204422) is 3-[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]-2-methylpropanoic acid is CC(CNC(=O)N1CCOC(CO)C1)C(=O)O.
What is the InChIKey of 3-[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]-2-methylpropanoic acid?
The InChIKey is GVPYGDPYSIMRSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O5/c1-7(9(14)15)4-11-10(16)12-2-3-17-8(5-12)6-13/h7-8,13H,2-6H2,1H3,(H,11,16)(H,14,15).
What are the key properties of 3-[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]-2-methylpropanoic acid?
3-[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]-2-methylpropanoic acid has a molecular weight of 246.26 g/mol, XLogP of -0.89, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 81204422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).