2-[2-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]ethoxy]acetic acid

C11H19N3O5 — CID 79464236

IUPAC2-[2-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]ethoxy]acetic acid
SMILESCN1CC(NC(=O)NCCOCC(=O)O)CCC1=O
InChIInChI=1S/C11H19N3O5/c1-14-6-8(2-3-9(14)15)13-11(18)12-4-5-19-7-10(16)17/h8H,2-7H2,1H3,(H,16,17)(H2,12,13,18)
InChIKeySCTVHXUWAJDKBK-UHFFFAOYSA-N
MW273.29 g/mol
LogP-0.99
Rot. Bonds6

About 2-[2-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]ethoxy]acetic acid

2-[2-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]ethoxy]acetic acid (PubChem CID 79464236) has the molecular formula C11H19N3O5 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-[2-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]ethoxy]acetic acid
PubChem CID79464236
Molecular FormulaC11H19N3O5
Molecular Weight273.29 g/mol
Exact Mass273.13
IUPAC Name2-[2-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]ethoxy]acetic acid
SMILESCN1CC(NC(=O)NCCOCC(=O)O)CCC1=O
InChIInChI=1S/C11H19N3O5/c1-14-6-8(2-3-9(14)15)13-11(18)12-4-5-19-7-10(16)17/h8H,2-7H2,1H3,(H,16,17)(H2,12,13,18)
InChIKeySCTVHXUWAJDKBK-UHFFFAOYSA-N
XLogP-0.99
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 5-0.99
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

4-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]butanoic acid
CID 64670248
5-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]pentanoic acid
CID 64667845
(2S)-2-hydroxy-4-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]butanoic acid
CID 114007572
2-hydroxy-4-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]butanoic acid
CID 114007571
2-methyl-5-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]pentanoic acid
CID 104686741
2-methyl-3-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]propanoic acid
CID 64669836
3-methyl-2-[[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]methyl]butanoic acid
CID 65224311
4-[(1-methyl-6-oxopiperidin-3-yl)amino]-4-oxobutanoic acid
CID 64655943
3-ethoxy-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]propanamide
CID 124575480
3-cyclopropyl-3-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]propanoic acid
CID 82003067
1-tert-butyl-3-(1-methyl-6-oxopiperidin-3-yl)urea
CID 115693464
2-[2-ethoxy-4-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]phenoxy]acetic acid
CID 119185113

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]ethoxy]acetic acid?
The IUPAC name of 2-[2-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]ethoxy]acetic acid (CID 79464236) is 2-[2-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]ethoxy]acetic acid is CN1CC(NC(=O)NCCOCC(=O)O)CCC1=O.
What is the InChIKey of 2-[2-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]ethoxy]acetic acid?
The InChIKey is SCTVHXUWAJDKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O5/c1-14-6-8(2-3-9(14)15)13-11(18)12-4-5-19-7-10(16)17/h8H,2-7H2,1H3,(H,16,17)(H2,12,13,18).
What are the key properties of 2-[2-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]ethoxy]acetic acid?
2-[2-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]ethoxy]acetic acid has a molecular weight of 273.29 g/mol, XLogP of -0.99, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]ethoxy]acetic acid is sourced from PubChem (CID 79464236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).