2,3,3-triamino-2-(3-aminopropyl)pentanoic acid

C8H20N4O2 — CID 141238758

IUPAC2,3,3-triamino-2-(3-aminopropyl)pentanoic acid
SMILESCCC(N)(N)C(N)(CCCN)C(=O)O
InChIInChI=1S/C8H20N4O2/c1-2-8(11,12)7(10,6(13)14)4-3-5-9/h2-5,9-12H2,1H3,(H,13,14)
InChIKeyBJUWXEDAMUXQRQ-UHFFFAOYSA-N
MW204.27 g/mol
LogP-1.47
Rot. Bonds6

About 2,3,3-triamino-2-(3-aminopropyl)pentanoic acid

2,3,3-triamino-2-(3-aminopropyl)pentanoic acid (PubChem CID 141238758) has the molecular formula C8H20N4O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 2,3,3-triamino-2-(3-aminopropyl)pentanoic acid.

Molecular Properties

Compound Name2,3,3-triamino-2-(3-aminopropyl)pentanoic acid
PubChem CID141238758
Molecular FormulaC8H20N4O2
Molecular Weight204.27 g/mol
Exact Mass204.16
IUPAC Name2,3,3-triamino-2-(3-aminopropyl)pentanoic acid
SMILESCCC(N)(N)C(N)(CCCN)C(=O)O
InChIInChI=1S/C8H20N4O2/c1-2-8(11,12)7(10,6(13)14)4-3-5-9/h2-5,9-12H2,1H3,(H,13,14)
InChIKeyBJUWXEDAMUXQRQ-UHFFFAOYSA-N
XLogP-1.47
TPSA141.38 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 5-1.47
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2,5-diamino-2-(trichloromethyl)pentanoic acid
CID 18177491
2,6-diamino-2-[chloro(difluoro)methyl]hexanoic acid
CID 18177525
2-(3-aminopropylamino)-2-ethylbutanoic acid
CID 78987423
(2S)-2,5-diamino-2-(deuteriomethyl)pentanoic acid
CID 57018880
2,6-diamino-2-methylhexanoic acid
CID 3017540
2-amino-2-(4-aminobutyl)icosanoic acid;dihydrochloride
CID 20978392
2,2,3,3,4,4-hexaaminohexanoic acid
CID 118047883
2,8-diamino-2-methyloctanoic acid
CID 87814639
(2R)-2-acetyl-2,6-diaminohexanoic acid
CID 22853479
(2S)-2,6-diamino-2-(dimethylamino)hexanoic acid
CID 151285535
2,5-diamino-2-(fluoromethyl)pentanoic acid;hydrochloride
CID 14231035
(2S)-2-amino-2-(aminomethyl)-3,3-dimethylbutanoic acid
CID 57159818

Frequently Asked Questions

What is the IUPAC name of 2,3,3-triamino-2-(3-aminopropyl)pentanoic acid?
The IUPAC name of 2,3,3-triamino-2-(3-aminopropyl)pentanoic acid (CID 141238758) is 2,3,3-triamino-2-(3-aminopropyl)pentanoic acid.
What is the SMILES notation for 2,3,3-triamino-2-(3-aminopropyl)pentanoic acid?
The canonical SMILES for 2,3,3-triamino-2-(3-aminopropyl)pentanoic acid is CCC(N)(N)C(N)(CCCN)C(=O)O.
What is the InChIKey of 2,3,3-triamino-2-(3-aminopropyl)pentanoic acid?
The InChIKey is BJUWXEDAMUXQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N4O2/c1-2-8(11,12)7(10,6(13)14)4-3-5-9/h2-5,9-12H2,1H3,(H,13,14).
What are the key properties of 2,3,3-triamino-2-(3-aminopropyl)pentanoic acid?
2,3,3-triamino-2-(3-aminopropyl)pentanoic acid has a molecular weight of 204.27 g/mol, XLogP of -1.47, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-triamino-2-(3-aminopropyl)pentanoic acid is sourced from PubChem (CID 141238758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).