3-[(5-amino-5-oxopentyl)amino]butanoic acid

C9H18N2O3 — CID 106237220

IUPAC3-[(5-amino-5-oxopentyl)amino]butanoic acid
SMILESCC(CC(=O)O)NCCCCC(N)=O
InChIInChI=1S/C9H18N2O3/c1-7(6-9(13)14)11-5-3-2-4-8(10)12/h7,11H,2-6H2,1H3,(H2,10,12)(H,13,14)
InChIKeyMAEQCNSDTOTUDG-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.09
Rot. Bonds8

About 3-[(5-amino-5-oxopentyl)amino]butanoic acid

3-[(5-amino-5-oxopentyl)amino]butanoic acid (PubChem CID 106237220) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is 3-[(5-amino-5-oxopentyl)amino]butanoic acid.

Molecular Properties

Compound Name3-[(5-amino-5-oxopentyl)amino]butanoic acid
PubChem CID106237220
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name3-[(5-amino-5-oxopentyl)amino]butanoic acid
SMILESCC(CC(=O)O)NCCCCC(N)=O
InChIInChI=1S/C9H18N2O3/c1-7(6-9(13)14)11-5-3-2-4-8(10)12/h7,11H,2-6H2,1H3,(H2,10,12)(H,13,14)
InChIKeyMAEQCNSDTOTUDG-UHFFFAOYSA-N
XLogP0.09
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.09
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

3-(undecylamino)butanoic acid
CID 57087674
5-(hexan-2-ylamino)pentanamide
CID 106234439
3-[[(Z)-octadec-9-enyl]amino]butanoic acid
CID 88624856
3-[3-(methanesulfonamido)propylamino]butanoic acid
CID 106336520
5-(1-methylsulfanylpropan-2-ylamino)pentanoic acid
CID 103266088
5-(5-methylhexan-2-ylamino)pentanoic acid
CID 103252184
5-(1-piperidin-1-ylpropan-2-ylamino)pentanamide
CID 114281596
6-(diaminomethylamino)hexanamide
CID 135228414
3-(2-acetamidoethylamino)butanoic acid
CID 43552761
5-(1,1-dimethoxypropan-2-ylamino)pentanamide
CID 106234795
3-(3-cyanopropylamino)butanamide
CID 104537137
3-(propylamino)butanamide
CID 54855476

Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-5-oxopentyl)amino]butanoic acid?
The IUPAC name of 3-[(5-amino-5-oxopentyl)amino]butanoic acid (CID 106237220) is 3-[(5-amino-5-oxopentyl)amino]butanoic acid.
What is the SMILES notation for 3-[(5-amino-5-oxopentyl)amino]butanoic acid?
The canonical SMILES for 3-[(5-amino-5-oxopentyl)amino]butanoic acid is CC(CC(=O)O)NCCCCC(N)=O.
What is the InChIKey of 3-[(5-amino-5-oxopentyl)amino]butanoic acid?
The InChIKey is MAEQCNSDTOTUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-7(6-9(13)14)11-5-3-2-4-8(10)12/h7,11H,2-6H2,1H3,(H2,10,12)(H,13,14).
What are the key properties of 3-[(5-amino-5-oxopentyl)amino]butanoic acid?
3-[(5-amino-5-oxopentyl)amino]butanoic acid has a molecular weight of 202.25 g/mol, XLogP of 0.09, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-amino-5-oxopentyl)amino]butanoic acid is sourced from PubChem (CID 106237220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).