6-[(4-acetylpiperazine-1-carbonyl)amino]-2-aminohexanoic acid

C13H24N4O4 — CID 130218221

IUPAC6-[(4-acetylpiperazine-1-carbonyl)amino]-2-aminohexanoic acid
SMILESCC(=O)N1CCN(C(=O)NCCCCC(N)C(=O)O)CC1
InChIInChI=1S/C13H24N4O4/c1-10(18)16-6-8-17(9-7-16)13(21)15-5-3-2-4-11(14)12(19)20/h11H,2-9,14H2,1H3,(H,15,21)(H,19,20)
InChIKeyBMSUVJQZWYOIOW-UHFFFAOYSA-N
MW300.36 g/mol
LogP-0.56
Rot. Bonds6

About 6-[(4-acetylpiperazine-1-carbonyl)amino]-2-aminohexanoic acid

6-[(4-acetylpiperazine-1-carbonyl)amino]-2-aminohexanoic acid (PubChem CID 130218221) has the molecular formula C13H24N4O4 and a molecular weight of 300.36 g/mol. Its IUPAC name is 6-[(4-acetylpiperazine-1-carbonyl)amino]-2-aminohexanoic acid.

Molecular Properties

Compound Name6-[(4-acetylpiperazine-1-carbonyl)amino]-2-aminohexanoic acid
PubChem CID130218221
Molecular FormulaC13H24N4O4
Molecular Weight300.36 g/mol
Exact Mass300.18
IUPAC Name6-[(4-acetylpiperazine-1-carbonyl)amino]-2-aminohexanoic acid
SMILESCC(=O)N1CCN(C(=O)NCCCCC(N)C(=O)O)CC1
InChIInChI=1S/C13H24N4O4/c1-10(18)16-6-8-17(9-7-16)13(21)15-5-3-2-4-11(14)12(19)20/h11H,2-9,14H2,1H3,(H,15,21)(H,19,20)
InChIKeyBMSUVJQZWYOIOW-UHFFFAOYSA-N
XLogP-0.56
TPSA115.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 5-0.56
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

2-amino-4-(azetidine-1-carbonylamino)butanoic acid
CID 70945804
2-amino-4-(pyrrolidine-1-carbonylamino)butanoic acid
CID 70945574
2-amino-6-(2-oxopropanoylamino)hexanoic acid
CID 59658344
(2S)-2-amino-6-(2-methylprop-2-enoylamino)hexanoic acid
CID 18391586
(2S)-2-amino-6-[[(2S)-2-amino-3-sulfanylpropanoyl]amino]hexanoic acid
CID 51356146
N-[6-(aziridine-1-carbonylamino)hexyl]aziridine-1-carboxamide
CID 16758
(2S)-2-amino-6-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]hexanoic acid
CID 167312289
2-amino-6-(2-propylpentanoylamino)hexanoic acid
CID 164728968
(2S)-6-[[(4S)-4-acetamido-4-carboxybutanoyl]amino]-2-aminohexanoic acid
CID 167256422
(2S)-2-amino-4-[[4-(dimethylamino)piperidine-1-carbonyl]amino]butanoic acid
CID 67154382
2-amino-6-(methoxycarbonylamino)hexanoic acid
CID 10899722
(2S)-2-amino-6-[(2,5-diamino-5-oxopentanoyl)amino]hexanoic acid
CID 174585198

Frequently Asked Questions

What is the IUPAC name of 6-[(4-acetylpiperazine-1-carbonyl)amino]-2-aminohexanoic acid?
The IUPAC name of 6-[(4-acetylpiperazine-1-carbonyl)amino]-2-aminohexanoic acid (CID 130218221) is 6-[(4-acetylpiperazine-1-carbonyl)amino]-2-aminohexanoic acid.
What is the SMILES notation for 6-[(4-acetylpiperazine-1-carbonyl)amino]-2-aminohexanoic acid?
The canonical SMILES for 6-[(4-acetylpiperazine-1-carbonyl)amino]-2-aminohexanoic acid is CC(=O)N1CCN(C(=O)NCCCCC(N)C(=O)O)CC1.
What is the InChIKey of 6-[(4-acetylpiperazine-1-carbonyl)amino]-2-aminohexanoic acid?
The InChIKey is BMSUVJQZWYOIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O4/c1-10(18)16-6-8-17(9-7-16)13(21)15-5-3-2-4-11(14)12(19)20/h11H,2-9,14H2,1H3,(H,15,21)(H,19,20).
What are the key properties of 6-[(4-acetylpiperazine-1-carbonyl)amino]-2-aminohexanoic acid?
6-[(4-acetylpiperazine-1-carbonyl)amino]-2-aminohexanoic acid has a molecular weight of 300.36 g/mol, XLogP of -0.56, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-acetylpiperazine-1-carbonyl)amino]-2-aminohexanoic acid is sourced from PubChem (CID 130218221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).