1-[2-[(2-aminoacetyl)amino]acetyl]-4-propylpiperidine-4-carboxylic acid

C13H23N3O4 — CID 63126073

IUPAC1-[2-[(2-aminoacetyl)amino]acetyl]-4-propylpiperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)CNC(=O)CN)CC1
InChIInChI=1S/C13H23N3O4/c1-2-3-13(12(19)20)4-6-16(7-5-13)11(18)9-15-10(17)8-14/h2-9,14H2,1H3,(H,15,17)(H,19,20)
InChIKeyYUPIRLYBSUGMIY-UHFFFAOYSA-N
MW285.34 g/mol
LogP-0.45
Rot. Bonds6

About 1-[2-[(2-aminoacetyl)amino]acetyl]-4-propylpiperidine-4-carboxylic acid

1-[2-[(2-aminoacetyl)amino]acetyl]-4-propylpiperidine-4-carboxylic acid (PubChem CID 63126073) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is 1-[2-[(2-aminoacetyl)amino]acetyl]-4-propylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(2-aminoacetyl)amino]acetyl]-4-propylpiperidine-4-carboxylic acid
PubChem CID63126073
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name1-[2-[(2-aminoacetyl)amino]acetyl]-4-propylpiperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)CNC(=O)CN)CC1
InChIInChI=1S/C13H23N3O4/c1-2-3-13(12(19)20)4-6-16(7-5-13)11(18)9-15-10(17)8-14/h2-9,14H2,1H3,(H,15,17)(H,19,20)
InChIKeyYUPIRLYBSUGMIY-UHFFFAOYSA-N
XLogP-0.45
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(propan-2-ylamino)acetyl]-4-propylpiperidine-4-carboxylic acid
CID 63125470
4-propylpiperidine-1,4-dicarboxylic acid
CID 91190681
1-acetyl-4-propylpiperidine-4-carboxylic acid
CID 63125183
1-(6-aminohexanoyl)-4-propylpiperidine-4-carboxylic acid
CID 63125457
1-[2-(2-methoxyethylamino)acetyl]-4-propylpiperidine-4-carboxylic acid
CID 79282003
1-(2-propan-2-ylsulfanylacetyl)-4-propylpiperidine-4-carboxylic acid
CID 63125609
1-hexanoyl-4-propylpiperidine-4-carboxylic acid
CID 55178926
2-amino-N-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]acetamide
CID 60847583
2-amino-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 60847921
4-propyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylic acid
CID 63126397
1-[2-(aminomethyl)pentanoyl]-4-propylpiperidine-4-carboxylic acid
CID 65228065
1-[(2-ethoxy-2-oxoethyl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63149281

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-aminoacetyl)amino]acetyl]-4-propylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[2-[(2-aminoacetyl)amino]acetyl]-4-propylpiperidine-4-carboxylic acid (CID 63126073) is 1-[2-[(2-aminoacetyl)amino]acetyl]-4-propylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-[(2-aminoacetyl)amino]acetyl]-4-propylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-[(2-aminoacetyl)amino]acetyl]-4-propylpiperidine-4-carboxylic acid is CCCC1(C(=O)O)CCN(C(=O)CNC(=O)CN)CC1.
What is the InChIKey of 1-[2-[(2-aminoacetyl)amino]acetyl]-4-propylpiperidine-4-carboxylic acid?
The InChIKey is YUPIRLYBSUGMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-2-3-13(12(19)20)4-6-16(7-5-13)11(18)9-15-10(17)8-14/h2-9,14H2,1H3,(H,15,17)(H,19,20).
What are the key properties of 1-[2-[(2-aminoacetyl)amino]acetyl]-4-propylpiperidine-4-carboxylic acid?
1-[2-[(2-aminoacetyl)amino]acetyl]-4-propylpiperidine-4-carboxylic acid has a molecular weight of 285.34 g/mol, XLogP of -0.45, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-aminoacetyl)amino]acetyl]-4-propylpiperidine-4-carboxylic acid is sourced from PubChem (CID 63126073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).