2-amino-4-(4-methylpentylamino)butanoic acid

C10H22N2O2 — CID 115241308

IUPAC2-amino-4-(4-methylpentylamino)butanoic acid
SMILESCC(C)CCCNCCC(N)C(=O)O
InChIInChI=1S/C10H22N2O2/c1-8(2)4-3-6-12-7-5-9(11)10(13)14/h8-9,12H,3-7,11H2,1-2H3,(H,13,14)
InChIKeyKNIIKWRQJIOFMA-UHFFFAOYSA-N
MW202.30 g/mol
LogP0.81
Rot. Bonds8

About 2-amino-4-(4-methylpentylamino)butanoic acid

2-amino-4-(4-methylpentylamino)butanoic acid (PubChem CID 115241308) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 2-amino-4-(4-methylpentylamino)butanoic acid.

Molecular Properties

Compound Name2-amino-4-(4-methylpentylamino)butanoic acid
PubChem CID115241308
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name2-amino-4-(4-methylpentylamino)butanoic acid
SMILESCC(C)CCCNCCC(N)C(=O)O
InChIInChI=1S/C10H22N2O2/c1-8(2)4-3-6-12-7-5-9(11)10(13)14/h8-9,12H,3-7,11H2,1-2H3,(H,13,14)
InChIKeyKNIIKWRQJIOFMA-UHFFFAOYSA-N
XLogP0.81
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 50.81
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

2-amino-6-(3-methylbutylamino)hexanoic acid
CID 90718970
2-amino-21-methyldocosanoic acid
CID 10926747
2-amino-5-(ethylamino)pentanoic acid
CID 4868762
(2R)-2-amino-4-(ethylamino)butanoic acid
CID 44891253
(2R)-2-amino-5-methylhexanoic acid
CID 40537121
2-amino-4-(4-methylpentylamino)-4-oxobutanoic acid
CID 115181137
2-amino-4-(aminomethylamino)butanoic acid
CID 58794826
(2S)-2-amino-5-methylhexanoic acid;hydrate
CID 141394996
2-amino-5-(1-carboxyethylamino)pentanoic acid
CID 22057595
3-amino-4-(4-methylpentylamino)butanoic acid
CID 115241793
4-methyl-N-(4-methylpentyl)pentan-1-amine;nitrous acid
CID 173099376
(2R)-2-amino-4-(2-oxoethylamino)butanoic acid;(2S)-2-amino-4-(2-oxoethylamino)butanoic acid
CID 155390732

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-methylpentylamino)butanoic acid?
The IUPAC name of 2-amino-4-(4-methylpentylamino)butanoic acid (CID 115241308) is 2-amino-4-(4-methylpentylamino)butanoic acid.
What is the SMILES notation for 2-amino-4-(4-methylpentylamino)butanoic acid?
The canonical SMILES for 2-amino-4-(4-methylpentylamino)butanoic acid is CC(C)CCCNCCC(N)C(=O)O.
What is the InChIKey of 2-amino-4-(4-methylpentylamino)butanoic acid?
The InChIKey is KNIIKWRQJIOFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-8(2)4-3-6-12-7-5-9(11)10(13)14/h8-9,12H,3-7,11H2,1-2H3,(H,13,14).
What are the key properties of 2-amino-4-(4-methylpentylamino)butanoic acid?
2-amino-4-(4-methylpentylamino)butanoic acid has a molecular weight of 202.30 g/mol, XLogP of 0.81, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-methylpentylamino)butanoic acid is sourced from PubChem (CID 115241308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).