5-[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]-2-methylpentanoic acid

C12H22N2O5 — CID 104686844

IUPAC5-[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]-2-methylpentanoic acid
SMILESCC(CCCNC(=O)N1CCOC(CO)C1)C(=O)O
InChIInChI=1S/C12H22N2O5/c1-9(11(16)17)3-2-4-13-12(18)14-5-6-19-10(7-14)8-15/h9-10,15H,2-8H2,1H3,(H,13,18)(H,16,17)
InChIKeyGGNMDNWQMSPXET-UHFFFAOYSA-N
MW274.32 g/mol
LogP-0.11
Rot. Bonds6

About 5-[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]-2-methylpentanoic acid

5-[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]-2-methylpentanoic acid (PubChem CID 104686844) has the molecular formula C12H22N2O5 and a molecular weight of 274.32 g/mol. Its IUPAC name is 5-[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]-2-methylpentanoic acid.

Molecular Properties

Compound Name5-[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]-2-methylpentanoic acid
PubChem CID104686844
Molecular FormulaC12H22N2O5
Molecular Weight274.32 g/mol
Exact Mass274.15
IUPAC Name5-[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]-2-methylpentanoic acid
SMILESCC(CCCNC(=O)N1CCOC(CO)C1)C(=O)O
InChIInChI=1S/C12H22N2O5/c1-9(11(16)17)3-2-4-13-12(18)14-5-6-19-10(7-14)8-15/h9-10,15H,2-8H2,1H3,(H,13,18)(H,16,17)
InChIKeyGGNMDNWQMSPXET-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Ethyl 4-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]butanoate
CID 172436455
1-[2-(2,2,2-Trifluoroethoxy)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 63834067
(3R)-1-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 81120149
(3S)-1-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 81125966
1-[2-(2,2-Difluoroethoxy)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 105919064
(3S)-1-[2-(2,2-difluoroethoxy)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 105919203
(3R)-1-[2-(2,2-difluoroethoxy)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 114128630
5-Methyl-1-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 122122081
1-[2-(2,2-Difluoroethoxy)ethylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123575
5-Methyl-1-[2-(trifluoromethoxy)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 122123580
5-Methyl-1-[2-(2,2,3,3-tetrafluoropropoxy)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 122123623
2-[(3-Ethoxycarbonylpiperidine-1-carbonyl)amino]acetic acid
CID 22465574

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]-2-methylpentanoic acid?
The IUPAC name of 5-[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]-2-methylpentanoic acid (CID 104686844) is 5-[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]-2-methylpentanoic acid.
What is the SMILES notation for 5-[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]-2-methylpentanoic acid?
The canonical SMILES for 5-[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]-2-methylpentanoic acid is CC(CCCNC(=O)N1CCOC(CO)C1)C(=O)O.
What is the InChIKey of 5-[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]-2-methylpentanoic acid?
The InChIKey is GGNMDNWQMSPXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O5/c1-9(11(16)17)3-2-4-13-12(18)14-5-6-19-10(7-14)8-15/h9-10,15H,2-8H2,1H3,(H,13,18)(H,16,17).
What are the key properties of 5-[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]-2-methylpentanoic acid?
5-[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]-2-methylpentanoic 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 5-[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]-2-methylpentanoic acid is sourced from PubChem (CID 104686844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).