2-[2-[[2-[[2-(azepane-1-carbonylamino)acetyl]amino]acetyl]amino]hexanoylamino]acetic acid

C19H33N5O6 — CID 143234670

IUPAC2-[2-[[2-[[2-(azepane-1-carbonylamino)acetyl]amino]acetyl]amino]hexanoylamino]acetic acid
SMILESCCCCC(NC(=O)CNC(=O)CNC(=O)N1CCCCCC1)C(=O)NCC(=O)O
InChIInChI=1S/C19H33N5O6/c1-2-3-8-14(18(29)21-13-17(27)28)23-16(26)12-20-15(25)11-22-19(30)24-9-6-4-5-7-10-24/h14H,2-13H2,1H3,(H,20,25)(H,21,29)(H,22,30)(H,23,26)(H,27,28)
InChIKeyUGDBTGIZQYNSHX-UHFFFAOYSA-N
MW427.50 g/mol
LogP-0.44
Rot. Bonds11

About 2-[2-[[2-[[2-(azepane-1-carbonylamino)acetyl]amino]acetyl]amino]hexanoylamino]acetic acid

2-[2-[[2-[[2-(azepane-1-carbonylamino)acetyl]amino]acetyl]amino]hexanoylamino]acetic acid (PubChem CID 143234670) has the molecular formula C19H33N5O6 and a molecular weight of 427.50 g/mol. Its IUPAC name is 2-[2-[[2-[[2-(azepane-1-carbonylamino)acetyl]amino]acetyl]amino]hexanoylamino]acetic acid.

Molecular Properties

Compound Name2-[2-[[2-[[2-(azepane-1-carbonylamino)acetyl]amino]acetyl]amino]hexanoylamino]acetic acid
PubChem CID143234670
Molecular FormulaC19H33N5O6
Molecular Weight427.50 g/mol
Exact Mass427.24
IUPAC Name2-[2-[[2-[[2-(azepane-1-carbonylamino)acetyl]amino]acetyl]amino]hexanoylamino]acetic acid
SMILESCCCCC(NC(=O)CNC(=O)CNC(=O)N1CCCCCC1)C(=O)NCC(=O)O
InChIInChI=1S/C19H33N5O6/c1-2-3-8-14(18(29)21-13-17(27)28)23-16(26)12-20-15(25)11-22-19(30)24-9-6-4-5-7-10-24/h14H,2-13H2,1H3,(H,20,25)(H,21,29)(H,22,30)(H,23,26)(H,27,28)
InChIKeyUGDBTGIZQYNSHX-UHFFFAOYSA-N
XLogP-0.44
TPSA156.94 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 5-0.44
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze 2-[2-[[2-[[2-(azepane-1-carbonylamino)acetyl]amino]acetyl]amino]hexanoylamino]acetic acid with MolForge

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Related Compounds

2-(azocane-1-carbonylamino)acetic acid
CID 43445649
N-[2-oxo-2-(propylamino)ethyl]piperidine-1-carboxamide
CID 115578708
2-[[2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2,5-diaminopentanoyl]amino]hexanoyl]amino]hexanoyl]amino]pentanoyl]amino]hexanoyl]amino]acetyl]amino]acetic acid
CID 175724406
N-[1-oxo-1-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butan-2-yl]pentanamide
CID 123242180
2-[[2-[[2-[[(2S)-2-[[2-[(2-acetamidoacetyl)amino]acetyl]amino]hexanoyl]amino]acetyl]amino]-4-methylpentanoyl]-propylamino]acetic acid
CID 146213569
(3R)-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidine-3-carboxylic acid
CID 81120213
2-[[2-[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]acetyl]amino]acetic acid
CID 63547793
N-[(2R)-2-ethylhexyl]pyrrolidine-1-carboxamide
CID 95571619
2-[[2-(3,6-dihydro-2H-pyridine-1-carbonylamino)acetyl]amino]acetic acid
CID 114411753
2-[[2-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]acetyl]amino]acetic acid
CID 55220965
2-[[3-(methylcarbamoyl)piperidine-1-carbonyl]amino]acetic acid
CID 103197217
N-[2-(azepan-1-yl)-2-oxoethyl]pentanamide
CID 112995931

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-[[2-(azepane-1-carbonylamino)acetyl]amino]acetyl]amino]hexanoylamino]acetic acid?
The IUPAC name of 2-[2-[[2-[[2-(azepane-1-carbonylamino)acetyl]amino]acetyl]amino]hexanoylamino]acetic acid (CID 143234670) is 2-[2-[[2-[[2-(azepane-1-carbonylamino)acetyl]amino]acetyl]amino]hexanoylamino]acetic acid.
What is the SMILES notation for 2-[2-[[2-[[2-(azepane-1-carbonylamino)acetyl]amino]acetyl]amino]hexanoylamino]acetic acid?
The canonical SMILES for 2-[2-[[2-[[2-(azepane-1-carbonylamino)acetyl]amino]acetyl]amino]hexanoylamino]acetic acid is CCCCC(NC(=O)CNC(=O)CNC(=O)N1CCCCCC1)C(=O)NCC(=O)O.
What is the InChIKey of 2-[2-[[2-[[2-(azepane-1-carbonylamino)acetyl]amino]acetyl]amino]hexanoylamino]acetic acid?
The InChIKey is UGDBTGIZQYNSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5O6/c1-2-3-8-14(18(29)21-13-17(27)28)23-16(26)12-20-15(25)11-22-19(30)24-9-6-4-5-7-10-24/h14H,2-13H2,1H3,(H,20,25)(H,21,29)(H,22,30)(H,23,26)(H,27,28).
What are the key properties of 2-[2-[[2-[[2-(azepane-1-carbonylamino)acetyl]amino]acetyl]amino]hexanoylamino]acetic acid?
2-[2-[[2-[[2-(azepane-1-carbonylamino)acetyl]amino]acetyl]amino]hexanoylamino]acetic acid has a molecular weight of 427.50 g/mol, XLogP of -0.44, 11 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-[[2-(azepane-1-carbonylamino)acetyl]amino]acetyl]amino]hexanoylamino]acetic acid is sourced from PubChem (CID 143234670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).