2-amino-4-(benzylamino)butanoic acid;2-methylpropane

C15H26N2O2 — CID 143664363

IUPAC2-amino-4-(benzylamino)butanoic acid;2-methylpropane
SMILESCC(C)C.NC(CCNCc1ccccc1)C(=O)O
InChIInChI=1S/C11H16N2O2.C4H10/c12-10(11(14)15)6-7-13-8-9-4-2-1-3-5-9;1-4(2)3/h1-5,10,13H,6-8,12H2,(H,14,15);4H,1-3H3
InChIKeyJHFIAVSNMFMEGC-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.24
Rot. Bonds6

About 2-amino-4-(benzylamino)butanoic acid;2-methylpropane

2-amino-4-(benzylamino)butanoic acid;2-methylpropane (PubChem CID 143664363) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 2-amino-4-(benzylamino)butanoic acid;2-methylpropane.

Molecular Properties

Compound Name2-amino-4-(benzylamino)butanoic acid;2-methylpropane
PubChem CID143664363
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name2-amino-4-(benzylamino)butanoic acid;2-methylpropane
SMILESCC(C)C.NC(CCNCc1ccccc1)C(=O)O
InChIInChI=1S/C11H16N2O2.C4H10/c12-10(11(14)15)6-7-13-8-9-4-2-1-3-5-9;1-4(2)3/h1-5,10,13H,6-8,12H2,(H,14,15);4H,1-3H3
InChIKeyJHFIAVSNMFMEGC-UHFFFAOYSA-N
XLogP2.24
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.24
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-4-[(4-ethoxyphenyl)methylamino]butanoic acid
CID 115241193
(2R)-2,5-diamino-6-(benzylamino)-6-oxohexanoic acid
CID 91436913
tert-butyl (2R)-4-(benzylamino)-2-methylbutanoate
CID 134965842
(2S)-2-amino-4-methylpentanoic acid;benzylcarbamic acid
CID 70255387
(2S)-2-amino-4-phenylbutanoic acid;bohrium
CID 59366799
6-(benzylamino)-2-hydroxyhexanoic acid
CID 42613185
(2S)-2,5-diamino-5-(1-phenylpropan-2-ylamino)pentanoic acid
CID 87300907
(2S)-2-amino-3-phenylpropanoic acid;bis((2S)-2-aminopropanoic acid)
CID 67264912
2-amino-4-[(2-methyl-3H-benzimidazol-5-yl)methylamino]butanoic acid
CID 115241223
2-amino-2-[4-[(benzylamino)methyl]phenyl]acetic acid
CID 22326285
(2S)-2-amino-N-(3-methylbutyl)-3-phenylpropanamide
CID 10399143
(2R)-2-[(2-amino-4-phenylbutanoyl)amino]propanoic acid
CID 104984248

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(benzylamino)butanoic acid;2-methylpropane?
The IUPAC name of 2-amino-4-(benzylamino)butanoic acid;2-methylpropane (CID 143664363) is 2-amino-4-(benzylamino)butanoic acid;2-methylpropane.
What is the SMILES notation for 2-amino-4-(benzylamino)butanoic acid;2-methylpropane?
The canonical SMILES for 2-amino-4-(benzylamino)butanoic acid;2-methylpropane is CC(C)C.NC(CCNCc1ccccc1)C(=O)O.
What is the InChIKey of 2-amino-4-(benzylamino)butanoic acid;2-methylpropane?
The InChIKey is JHFIAVSNMFMEGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2.C4H10/c12-10(11(14)15)6-7-13-8-9-4-2-1-3-5-9;1-4(2)3/h1-5,10,13H,6-8,12H2,(H,14,15);4H,1-3H3.
What are the key properties of 2-amino-4-(benzylamino)butanoic acid;2-methylpropane?
2-amino-4-(benzylamino)butanoic acid;2-methylpropane has a molecular weight of 266.38 g/mol, XLogP of 2.24, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(benzylamino)butanoic acid;2-methylpropane is sourced from PubChem (CID 143664363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).