(2S)-2,5-diamino-2-phenylpentanoic acid

C11H16N2O2 — CID 7141907

IUPAC(2S)-2,5-diamino-2-phenylpentanoic acid
SMILESNCCC[C@@](N)(C(=O)O)c1ccccc1
InChIInChI=1S/C11H16N2O2/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)/t11-/m0/s1
InChIKeyOGUIISSDWIYOSY-NSHDSACASA-N
MW208.26 g/mol
LogP0.66
Rot. Bonds5

About (2S)-2,5-diamino-2-phenylpentanoic acid

(2S)-2,5-diamino-2-phenylpentanoic acid (PubChem CID 7141907) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is (2S)-2,5-diamino-2-phenylpentanoic acid.

Molecular Properties

Compound Name(2S)-2,5-diamino-2-phenylpentanoic acid
PubChem CID7141907
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name(2S)-2,5-diamino-2-phenylpentanoic acid
SMILESNCCC[C@@](N)(C(=O)O)c1ccccc1
InChIInChI=1S/C11H16N2O2/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)/t11-/m0/s1
InChIKeyOGUIISSDWIYOSY-NSHDSACASA-N
XLogP0.66
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-diamino-2-phenylpentanoic acid;dihydrochloride
CID 17389596
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
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
benzyl 2,3-diamino-2-phenylpropanoate
CID 57017654

Frequently Asked Questions

What is the IUPAC name of (2S)-2,5-diamino-2-phenylpentanoic acid?
The IUPAC name of (2S)-2,5-diamino-2-phenylpentanoic acid (CID 7141907) is (2S)-2,5-diamino-2-phenylpentanoic acid.
What is the SMILES notation for (2S)-2,5-diamino-2-phenylpentanoic acid?
The canonical SMILES for (2S)-2,5-diamino-2-phenylpentanoic acid is NCCC[C@@](N)(C(=O)O)c1ccccc1.
What is the InChIKey of (2S)-2,5-diamino-2-phenylpentanoic acid?
The InChIKey is OGUIISSDWIYOSY-NSHDSACASA-N. The full InChI is InChI=1S/C11H16N2O2/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)/t11-/m0/s1.
What are the key properties of (2S)-2,5-diamino-2-phenylpentanoic acid?
(2S)-2,5-diamino-2-phenylpentanoic acid has a molecular weight of 208.26 g/mol, XLogP of 0.66, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,5-diamino-2-phenylpentanoic acid is sourced from PubChem (CID 7141907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).