2,5-diamino-2-phenylpentanoic acid;dihydrochloride

C11H18Cl2N2O2 — CID 17389596

IUPAC2,5-diamino-2-phenylpentanoic acid;dihydrochloride
SMILESCl.Cl.NCCCC(N)(C(=O)O)c1ccccc1
InChIInChI=1S/C11H16N2O2.2ClH/c12-8-4-7-11(13,10(14)15)9-5-2-1-3-6-9;;/h1-3,5-6H,4,7-8,12-13H2,(H,14,15);2*1H
InChIKeyXDHBTJJXADGZRW-UHFFFAOYSA-N
MW281.18 g/mol
LogP1.51
Rot. Bonds5

About 2,5-diamino-2-phenylpentanoic acid;dihydrochloride

2,5-diamino-2-phenylpentanoic acid;dihydrochloride (PubChem CID 17389596) has the molecular formula C11H18Cl2N2O2 and a molecular weight of 281.18 g/mol. Its IUPAC name is 2,5-diamino-2-phenylpentanoic acid;dihydrochloride.

Molecular Properties

Compound Name2,5-diamino-2-phenylpentanoic acid;dihydrochloride
PubChem CID17389596
Molecular FormulaC11H18Cl2N2O2
Molecular Weight281.18 g/mol
Exact Mass280.07
IUPAC Name2,5-diamino-2-phenylpentanoic acid;dihydrochloride
SMILESCl.Cl.NCCCC(N)(C(=O)O)c1ccccc1
InChIInChI=1S/C11H16N2O2.2ClH/c12-8-4-7-11(13,10(14)15)9-5-2-1-3-6-9;;/h1-3,5-6H,4,7-8,12-13H2,(H,14,15);2*1H
InChIKeyXDHBTJJXADGZRW-UHFFFAOYSA-N
XLogP1.51
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.18
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2,5-diamino-2-phenylpentanoic acid
CID 7141907
2-amino-2-phenylnonanoic acid;hydrochloride
CID 11208398
2-amino-2-phenyl-3-sulfanylpropanoic acid
CID 22619315
3,8-diamino-3-trityloctanoic acid
CID 142728683
(2S)-2,4-diamino-2-benzylbutanoic acid
CID 70154199
5-amino-2,2-dibenzylpentanoic acid
CID 175429444
2,5-diamino-2-phenoxycarbonylpentanoic acid
CID 139650868
5-amino-2,2-difluoro-5-hydroxy-5-phenylpentanoic acid
CID 70349078
ethyl 2,3-diamino-2-phenylpropanoate
CID 174452427
2-amino-2-(4-bromophenyl)pentanoic acid
CID 83743848
4-amino-4-phenylhexan-3-one
CID 67459117
2-amino-3-(oxetan-3-ylsulfanyl)-2-phenylpropanoic acid
CID 79326681

Frequently Asked Questions

What is the IUPAC name of 2,5-diamino-2-phenylpentanoic acid;dihydrochloride?
The IUPAC name of 2,5-diamino-2-phenylpentanoic acid;dihydrochloride (CID 17389596) is 2,5-diamino-2-phenylpentanoic acid;dihydrochloride.
What is the SMILES notation for 2,5-diamino-2-phenylpentanoic acid;dihydrochloride?
The canonical SMILES for 2,5-diamino-2-phenylpentanoic acid;dihydrochloride is Cl.Cl.NCCCC(N)(C(=O)O)c1ccccc1.
What is the InChIKey of 2,5-diamino-2-phenylpentanoic acid;dihydrochloride?
The InChIKey is XDHBTJJXADGZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2.2ClH/c12-8-4-7-11(13,10(14)15)9-5-2-1-3-6-9;;/h1-3,5-6H,4,7-8,12-13H2,(H,14,15);2*1H.
What are the key properties of 2,5-diamino-2-phenylpentanoic acid;dihydrochloride?
2,5-diamino-2-phenylpentanoic acid;dihydrochloride has a molecular weight of 281.18 g/mol, XLogP of 1.51, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diamino-2-phenylpentanoic acid;dihydrochloride is sourced from PubChem (CID 17389596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).