2-[[2-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]acetyl]amino]acetic acid

C12H21N3O5 — CID 63977490

IUPAC2-[[2-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]acetyl]amino]acetic acid
SMILESCOCC1CCN(C(=O)NCC(=O)NCC(=O)O)CC1
InChIInChI=1S/C12H21N3O5/c1-20-8-9-2-4-15(5-3-9)12(19)14-6-10(16)13-7-11(17)18/h9H,2-8H2,1H3,(H,13,16)(H,14,19)(H,17,18)
InChIKeyLIWMPGRLEIGBKW-UHFFFAOYSA-N
MW287.32 g/mol
LogP-0.74
Rot. Bonds6

About 2-[[2-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]acetyl]amino]acetic acid

2-[[2-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]acetyl]amino]acetic acid (PubChem CID 63977490) has the molecular formula C12H21N3O5 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-[[2-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]acetyl]amino]acetic acid
PubChem CID63977490
Molecular FormulaC12H21N3O5
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC Name2-[[2-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]acetyl]amino]acetic acid
SMILESCOCC1CCN(C(=O)NCC(=O)NCC(=O)O)CC1
InChIInChI=1S/C12H21N3O5/c1-20-8-9-2-4-15(5-3-9)12(19)14-6-10(16)13-7-11(17)18/h9H,2-8H2,1H3,(H,13,16)(H,14,19)(H,17,18)
InChIKeyLIWMPGRLEIGBKW-UHFFFAOYSA-N
XLogP-0.74
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 5-0.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]-5-oxopentanoic acid
CID 63978254
2-[[2-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]acetyl]amino]acetic acid
CID 55220965
2-[1-[[[4-(methoxymethyl)piperidine-1-carbonyl]amino]methyl]cyclobutyl]acetic acid
CID 81156098
5-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]-3-methyl-5-oxopentanoic acid
CID 63978057
(2S)-2-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]pentanedioic acid
CID 63979418
1-[4-(methoxymethyl)piperidin-1-yl]-2-(methylamino)ethanone
CID 63977470
2-cyclopropyl-2-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]acetic acid
CID 63980178
2-[[2-[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]acetyl]amino]acetic acid
CID 63547793
4-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]-4-oxobutanoic acid
CID 129370989
2-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]-2-methylbutanoic acid
CID 79801848
2-[1-[[2-(ethylamino)-2-oxoethyl]carbamoyl]piperidin-4-yl]oxyacetic acid
CID 63877488
4-hydroxy-2-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]butanoic acid
CID 63977875

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]acetyl]amino]acetic acid (CID 63977490) is 2-[[2-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]acetyl]amino]acetic acid is COCC1CCN(C(=O)NCC(=O)NCC(=O)O)CC1.
What is the InChIKey of 2-[[2-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]acetyl]amino]acetic acid?
The InChIKey is LIWMPGRLEIGBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O5/c1-20-8-9-2-4-15(5-3-9)12(19)14-6-10(16)13-7-11(17)18/h9H,2-8H2,1H3,(H,13,16)(H,14,19)(H,17,18).
What are the key properties of 2-[[2-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]acetyl]amino]acetic acid?
2-[[2-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]acetyl]amino]acetic acid has a molecular weight of 287.32 g/mol, XLogP of -0.74, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]acetyl]amino]acetic acid is sourced from PubChem (CID 63977490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).