5-(azocane-1-carbonylamino)-3-methyl-5-oxopentanoic acid

C14H24N2O4 — CID 62964310

IUPAC5-(azocane-1-carbonylamino)-3-methyl-5-oxopentanoic acid
SMILESCC(CC(=O)O)CC(=O)NC(=O)N1CCCCCCC1
InChIInChI=1S/C14H24N2O4/c1-11(10-13(18)19)9-12(17)15-14(20)16-7-5-3-2-4-6-8-16/h11H,2-10H2,1H3,(H,18,19)(H,15,17,20)
InChIKeyBNDMGBHTRDPHRO-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.99
Rot. Bonds4

About 5-(azocane-1-carbonylamino)-3-methyl-5-oxopentanoic acid

5-(azocane-1-carbonylamino)-3-methyl-5-oxopentanoic acid (PubChem CID 62964310) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 5-(azocane-1-carbonylamino)-3-methyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(azocane-1-carbonylamino)-3-methyl-5-oxopentanoic acid
PubChem CID62964310
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name5-(azocane-1-carbonylamino)-3-methyl-5-oxopentanoic acid
SMILESCC(CC(=O)O)CC(=O)NC(=O)N1CCCCCCC1
InChIInChI=1S/C14H24N2O4/c1-11(10-13(18)19)9-12(17)15-14(20)16-7-5-3-2-4-6-8-16/h11H,2-10H2,1H3,(H,18,19)(H,15,17,20)
InChIKeyBNDMGBHTRDPHRO-UHFFFAOYSA-N
XLogP1.99
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-5-[(4-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 62942046
5-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]-3-methyl-5-oxopentanoic acid
CID 63978057
5-(azocan-1-yl)-3-methyl-5-oxopentanoic acid
CID 62964849
5-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]-3-methyl-5-oxopentanoic acid
CID 63536519
5-[(2-ethylmorpholine-4-carbonyl)amino]-3-methyl-5-oxopentanoic acid
CID 62965510
(3S)-3-methyl-5-oxo-5-(2-piperidin-1-ylethylamino)pentanoic acid
CID 2225388
6-oxo-6-(piperidine-1-carbonylamino)hexanoic acid
CID 43447360
(3R)-3-methyl-5-oxo-5-(2-pyrrolidin-1-ylethylamino)pentanoic acid
CID 7318552
N-(2-aminoacetyl)piperidine-1-carboxamide
CID 70167153
(2S)-2-(piperidine-1-carbonylamino)propanoic acid
CID 945005
2-[2-oxo-2-(pyrrolidine-1-carbonylamino)ethoxy]acetic acid
CID 61328307
N-(1-piperidin-1-ylpropan-2-yl)piperidine-1-carboxamide
CID 115579823

Frequently Asked Questions

What is the IUPAC name of 5-(azocane-1-carbonylamino)-3-methyl-5-oxopentanoic acid?
The IUPAC name of 5-(azocane-1-carbonylamino)-3-methyl-5-oxopentanoic acid (CID 62964310) is 5-(azocane-1-carbonylamino)-3-methyl-5-oxopentanoic acid.
What is the SMILES notation for 5-(azocane-1-carbonylamino)-3-methyl-5-oxopentanoic acid?
The canonical SMILES for 5-(azocane-1-carbonylamino)-3-methyl-5-oxopentanoic acid is CC(CC(=O)O)CC(=O)NC(=O)N1CCCCCCC1.
What is the InChIKey of 5-(azocane-1-carbonylamino)-3-methyl-5-oxopentanoic acid?
The InChIKey is BNDMGBHTRDPHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-11(10-13(18)19)9-12(17)15-14(20)16-7-5-3-2-4-6-8-16/h11H,2-10H2,1H3,(H,18,19)(H,15,17,20).
What are the key properties of 5-(azocane-1-carbonylamino)-3-methyl-5-oxopentanoic acid?
5-(azocane-1-carbonylamino)-3-methyl-5-oxopentanoic acid has a molecular weight of 284.36 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azocane-1-carbonylamino)-3-methyl-5-oxopentanoic acid is sourced from PubChem (CID 62964310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).