5-(4-aminobutylamino)-3-methyl-5-oxopentanoic acid

C10H20N2O3 — CID 62965238

IUPAC5-(4-aminobutylamino)-3-methyl-5-oxopentanoic acid
SMILESCC(CC(=O)O)CC(=O)NCCCCN
InChIInChI=1S/C10H20N2O3/c1-8(7-10(14)15)6-9(13)12-5-3-2-4-11/h8H,2-7,11H2,1H3,(H,12,13)(H,14,15)
InChIKeyLQTRIGIMAHROHL-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.34
Rot. Bonds8

About 5-(4-aminobutylamino)-3-methyl-5-oxopentanoic acid

5-(4-aminobutylamino)-3-methyl-5-oxopentanoic acid (PubChem CID 62965238) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 5-(4-aminobutylamino)-3-methyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(4-aminobutylamino)-3-methyl-5-oxopentanoic acid
PubChem CID62965238
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name5-(4-aminobutylamino)-3-methyl-5-oxopentanoic acid
SMILESCC(CC(=O)O)CC(=O)NCCCCN
InChIInChI=1S/C10H20N2O3/c1-8(7-10(14)15)6-9(13)12-5-3-2-4-11/h8H,2-7,11H2,1H3,(H,12,13)(H,14,15)
InChIKeyLQTRIGIMAHROHL-UHFFFAOYSA-N
XLogP0.34
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(3-hydroxypropylamino)-3-methyl-5-oxopentanoic acid
CID 62966087
3-methyl-5-(7-methyloctylamino)-5-oxopentanoic acid
CID 62964548
8-(5-aminopentylamino)-4,4,5,5-tetramethyl-8-oxo-3,6-di(propan-2-yl)octanoic acid
CID 58807800
N-(3-aminopropyl)-3-methylbutanamide
CID 23588483
5-(3-ethenoxypropylamino)-3-methyl-5-oxopentanoic acid
CID 62964547
5-[(2-amino-2-oxoethyl)amino]-3-methyl-5-oxopentanoic acid
CID 62966422
10-amino-3-methyldecanoic acid
CID 2832731
N-(4-aminobutyl)-4-hydroxypentanamide
CID 79203295
N,N'-bis(6-aminohexyl)-2-(6-aminohexylamino)butanediamide
CID 19920859
6-amino-N-[6-oxo-6-(propan-2-ylamino)hexyl]hexanamide
CID 102236503
3-methyl-5-oxo-5-(3-sulfamoylpropylcarbamoylamino)pentanoic acid
CID 62965170
4-(8-aminooctylamino)-4-oxobutanoic acid
CID 118437583

Frequently Asked Questions

What is the IUPAC name of 5-(4-aminobutylamino)-3-methyl-5-oxopentanoic acid?
The IUPAC name of 5-(4-aminobutylamino)-3-methyl-5-oxopentanoic acid (CID 62965238) is 5-(4-aminobutylamino)-3-methyl-5-oxopentanoic acid.
What is the SMILES notation for 5-(4-aminobutylamino)-3-methyl-5-oxopentanoic acid?
The canonical SMILES for 5-(4-aminobutylamino)-3-methyl-5-oxopentanoic acid is CC(CC(=O)O)CC(=O)NCCCCN.
What is the InChIKey of 5-(4-aminobutylamino)-3-methyl-5-oxopentanoic acid?
The InChIKey is LQTRIGIMAHROHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-8(7-10(14)15)6-9(13)12-5-3-2-4-11/h8H,2-7,11H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 5-(4-aminobutylamino)-3-methyl-5-oxopentanoic acid?
5-(4-aminobutylamino)-3-methyl-5-oxopentanoic acid has a molecular weight of 216.28 g/mol, XLogP of 0.34, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminobutylamino)-3-methyl-5-oxopentanoic acid is sourced from PubChem (CID 62965238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).