1-(3-aminopropanoyl)-4-[(2-methoxyacetyl)amino]piperidine-2-carboxylic acid

C12H21N3O5 — CID 5150877

IUPAC1-(3-aminopropanoyl)-4-[(2-methoxyacetyl)amino]piperidine-2-carboxylic acid
SMILESCOCC(=O)NC1CCN(C(=O)CCN)C(C(=O)O)C1
InChIInChI=1S/C12H21N3O5/c1-20-7-10(16)14-8-3-5-15(11(17)2-4-13)9(6-8)12(18)19/h8-9H,2-7,13H2,1H3,(H,14,16)(H,18,19)
InChIKeyHUELOUQEJMBGPC-UHFFFAOYSA-N
MW287.32 g/mol
LogP-1.46
Rot. Bonds6

About 1-(3-aminopropanoyl)-4-[(2-methoxyacetyl)amino]piperidine-2-carboxylic acid

1-(3-aminopropanoyl)-4-[(2-methoxyacetyl)amino]piperidine-2-carboxylic acid (PubChem CID 5150877) has the molecular formula C12H21N3O5 and a molecular weight of 287.32 g/mol. Its IUPAC name is 1-(3-aminopropanoyl)-4-[(2-methoxyacetyl)amino]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(3-aminopropanoyl)-4-[(2-methoxyacetyl)amino]piperidine-2-carboxylic acid
PubChem CID5150877
Molecular FormulaC12H21N3O5
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC Name1-(3-aminopropanoyl)-4-[(2-methoxyacetyl)amino]piperidine-2-carboxylic acid
SMILESCOCC(=O)NC1CCN(C(=O)CCN)C(C(=O)O)C1
InChIInChI=1S/C12H21N3O5/c1-20-7-10(16)14-8-3-5-15(11(17)2-4-13)9(6-8)12(18)19/h8-9H,2-7,13H2,1H3,(H,14,16)(H,18,19)
InChIKeyHUELOUQEJMBGPC-UHFFFAOYSA-N
XLogP-1.46
TPSA121.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 5-1.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-aminopropanoyl)-4-methylpiperidine-2-carboxylic acid
CID 115867436
N-[1-(4-aminobutanoyl)piperidin-4-yl]-2-methoxyacetamide
CID 54872286
4-[4-[(2-methoxyacetyl)amino]piperidin-1-yl]-4-oxobutanoic acid
CID 54875415
2-methoxy-N-[(3R)-1-methylpyrrolidin-3-yl]acetamide
CID 90442595
1-(3-aminopropanoyl)azepane-2-carboxylic acid
CID 64564266
N-[1-(2-bromoacetyl)piperidin-4-yl]-2-methoxyacetamide
CID 63680285
N-[1-(1-aminocyclopropanecarbonyl)piperidin-4-yl]-2-methoxyacetamide
CID 65466624
1-(2-methoxyacetyl)pyrrolidine-2-carboxylic acid
CID 16773864
2-[3-[(2-methoxyacetyl)amino]cyclopentyl]acetic acid
CID 165454085
(2R)-1-(2-methoxyacetyl)piperidine-2-carboxylic acid
CID 30046872
1-[2-[2-[2-carboxy-4-(furan-2-carbonylamino)pyrrolidin-1-yl]-2-oxoethyl]sulfanylacetyl]-4-[(2-methoxyacetyl)amino]pyrrolidine-2-carboxylic acid
CID 3749818
3-[(2-methoxyacetyl)amino]cyclohexane-1-carboxamide
CID 175888912

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropanoyl)-4-[(2-methoxyacetyl)amino]piperidine-2-carboxylic acid?
The IUPAC name of 1-(3-aminopropanoyl)-4-[(2-methoxyacetyl)amino]piperidine-2-carboxylic acid (CID 5150877) is 1-(3-aminopropanoyl)-4-[(2-methoxyacetyl)amino]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(3-aminopropanoyl)-4-[(2-methoxyacetyl)amino]piperidine-2-carboxylic acid?
The canonical SMILES for 1-(3-aminopropanoyl)-4-[(2-methoxyacetyl)amino]piperidine-2-carboxylic acid is COCC(=O)NC1CCN(C(=O)CCN)C(C(=O)O)C1.
What is the InChIKey of 1-(3-aminopropanoyl)-4-[(2-methoxyacetyl)amino]piperidine-2-carboxylic acid?
The InChIKey is HUELOUQEJMBGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O5/c1-20-7-10(16)14-8-3-5-15(11(17)2-4-13)9(6-8)12(18)19/h8-9H,2-7,13H2,1H3,(H,14,16)(H,18,19).
What are the key properties of 1-(3-aminopropanoyl)-4-[(2-methoxyacetyl)amino]piperidine-2-carboxylic acid?
1-(3-aminopropanoyl)-4-[(2-methoxyacetyl)amino]piperidine-2-carboxylic acid has a molecular weight of 287.32 g/mol, XLogP of -1.46, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropanoyl)-4-[(2-methoxyacetyl)amino]piperidine-2-carboxylic acid is sourced from PubChem (CID 5150877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).