2-amino-5-(butylamino)pentanoate

C9H19N2O2- — CID 162200329

IUPAC2-amino-5-(butylamino)pentanoate
SMILESCCCCNCCCC(N)C(=O)[O-]
InChIInChI=1S/C9H20N2O2/c1-2-3-6-11-7-4-5-8(10)9(12)13/h8,11H,2-7,10H2,1H3,(H,12,13)/p-1
InChIKeyZRMMTNISZMTNFJ-UHFFFAOYSA-M
MW187.26 g/mol
LogP-0.77
Rot. Bonds8

About 2-amino-5-(butylamino)pentanoate

2-amino-5-(butylamino)pentanoate (PubChem CID 162200329) has the molecular formula C9H19N2O2- and a molecular weight of 187.26 g/mol. Its IUPAC name is 2-amino-5-(butylamino)pentanoate.

Molecular Properties

Compound Name2-amino-5-(butylamino)pentanoate
PubChem CID162200329
Molecular FormulaC9H19N2O2-
Molecular Weight187.26 g/mol
Exact Mass187.15
IUPAC Name2-amino-5-(butylamino)pentanoate
SMILESCCCCNCCCC(N)C(=O)[O-]
InChIInChI=1S/C9H20N2O2/c1-2-3-6-11-7-4-5-8(10)9(12)13/h8,11H,2-7,10H2,1H3,(H,12,13)/p-1
InChIKeyZRMMTNISZMTNFJ-UHFFFAOYSA-M
XLogP-0.77
TPSA78.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

lithium 2-aminohexanoate
CID 162134290
acetamide;N-butylbutan-1-amine
CID 172792447
2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-6-(butylamino)hexanamide
CID 23400711
(2S)-2-amino-N-butylhexanamide;hydrochloride
CID 86592163
2-amino-5-(ethylamino)pentanoic acid
CID 4868762
2-amino-3-(butylamino)propanamide
CID 103232681
2-aminohexanoic acid;2-aminopentanoic acid;2-(butylamino)acetic acid
CID 174666558
(2S)-2-aminohexanedioate
CID 5460399
2-aminopropanoic acid;N-pentylpentan-1-amine
CID 174916137
(2R)-2-amino-N-butylpentanamide
CID 82668431
N-[(5S)-5-amino-6-[3-[4-(butylamino)butylamino]propylamino]-6-oxohexyl]octanamide
CID 159397437
butan-2-one;N-butylbutan-1-amine
CID 161180085

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(butylamino)pentanoate?
The IUPAC name of 2-amino-5-(butylamino)pentanoate (CID 162200329) is 2-amino-5-(butylamino)pentanoate.
What is the SMILES notation for 2-amino-5-(butylamino)pentanoate?
The canonical SMILES for 2-amino-5-(butylamino)pentanoate is CCCCNCCCC(N)C(=O)[O-].
What is the InChIKey of 2-amino-5-(butylamino)pentanoate?
The InChIKey is ZRMMTNISZMTNFJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H20N2O2/c1-2-3-6-11-7-4-5-8(10)9(12)13/h8,11H,2-7,10H2,1H3,(H,12,13)/p-1.
What are the key properties of 2-amino-5-(butylamino)pentanoate?
2-amino-5-(butylamino)pentanoate has a molecular weight of 187.26 g/mol, XLogP of -0.77, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(butylamino)pentanoate is sourced from PubChem (CID 162200329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).