6-[[2-(4-aminopiperidin-1-yl)acetyl]amino]hexanoic acid

C13H25N3O3 — CID 79327645

IUPAC6-[[2-(4-aminopiperidin-1-yl)acetyl]amino]hexanoic acid
SMILESNC1CCN(CC(=O)NCCCCCC(=O)O)CC1
InChIInChI=1S/C13H25N3O3/c14-11-5-8-16(9-6-11)10-12(17)15-7-3-1-2-4-13(18)19/h11H,1-10,14H2,(H,15,17)(H,18,19)
InChIKeyYJJRMVNNWMPAJG-UHFFFAOYSA-N
MW271.36 g/mol
LogP0.17
Rot. Bonds8

About 6-[[2-(4-aminopiperidin-1-yl)acetyl]amino]hexanoic acid

6-[[2-(4-aminopiperidin-1-yl)acetyl]amino]hexanoic acid (PubChem CID 79327645) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is 6-[[2-(4-aminopiperidin-1-yl)acetyl]amino]hexanoic acid.

Molecular Properties

Compound Name6-[[2-(4-aminopiperidin-1-yl)acetyl]amino]hexanoic acid
PubChem CID79327645
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Name6-[[2-(4-aminopiperidin-1-yl)acetyl]amino]hexanoic acid
SMILESNC1CCN(CC(=O)NCCCCCC(=O)O)CC1
InChIInChI=1S/C13H25N3O3/c14-11-5-8-16(9-6-11)10-12(17)15-7-3-1-2-4-13(18)19/h11H,1-10,14H2,(H,15,17)(H,18,19)
InChIKeyYJJRMVNNWMPAJG-UHFFFAOYSA-N
XLogP0.17
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 50.17
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

6-[[2-[4,7,10-tris[2-(5-carboxypentylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]hexanoic acid
CID 122205584
7-[(2-piperazin-1-ylacetyl)amino]heptanoic acid
CID 61158723
2-[4-[2-[(6-amino-6-oxohexyl)amino]-2-oxoethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 134493029
2-(4-aminopiperidin-1-yl)-N-(3-methylsulfanylpropyl)acetamide
CID 79328495
5-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-2-methylpentanoic acid
CID 104685674
2-(4-aminopiperidin-1-yl)-N-[3-(2-methoxyethoxy)propyl]acetamide
CID 79327489
2-(4-aminopiperidin-1-yl)-N-[4-[methyl(propan-2-yl)amino]butyl]acetamide
CID 79328181
4-[[2-(4-ethoxycarbonylpiperidin-1-yl)acetyl]amino]butanoic acid
CID 62027456
2-(4-aminopiperidin-1-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 79332156
2-(4-aminopiperidin-1-yl)-N-(3,3,3-trifluoropropyl)acetamide
CID 79327739
2-(4-aminopiperidin-1-yl)-N-(3,3-dimethylbutyl)acetamide;hydrochloride
CID 119908436
2-(3-aminopyrrolidin-1-yl)-N-butylacetamide
CID 62067276

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(4-aminopiperidin-1-yl)acetyl]amino]hexanoic acid?
The IUPAC name of 6-[[2-(4-aminopiperidin-1-yl)acetyl]amino]hexanoic acid (CID 79327645) is 6-[[2-(4-aminopiperidin-1-yl)acetyl]amino]hexanoic acid.
What is the SMILES notation for 6-[[2-(4-aminopiperidin-1-yl)acetyl]amino]hexanoic acid?
The canonical SMILES for 6-[[2-(4-aminopiperidin-1-yl)acetyl]amino]hexanoic acid is NC1CCN(CC(=O)NCCCCCC(=O)O)CC1.
What is the InChIKey of 6-[[2-(4-aminopiperidin-1-yl)acetyl]amino]hexanoic acid?
The InChIKey is YJJRMVNNWMPAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c14-11-5-8-16(9-6-11)10-12(17)15-7-3-1-2-4-13(18)19/h11H,1-10,14H2,(H,15,17)(H,18,19).
What are the key properties of 6-[[2-(4-aminopiperidin-1-yl)acetyl]amino]hexanoic acid?
6-[[2-(4-aminopiperidin-1-yl)acetyl]amino]hexanoic acid has a molecular weight of 271.36 g/mol, XLogP of 0.17, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(4-aminopiperidin-1-yl)acetyl]amino]hexanoic acid is sourced from PubChem (CID 79327645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).