(2R)-2,5-diamino-5-oxopentanoic acid;(2R)-2-[4-(2-methylpropyl)phenyl]propanoic acid

C18H28N2O5 — CID 67811141

IUPAC(2R)-2,5-diamino-5-oxopentanoic acid;(2R)-2-[4-(2-methylpropyl)phenyl]propanoic acid
SMILESCC(C)Cc1ccc([C@@H](C)C(=O)O)cc1.NC(=O)CC[C@@H](N)C(=O)O
InChIInChI=1S/C13H18O2.C5H10N2O3/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15;6-3(5(9)10)1-2-4(7)8/h4-7,9-10H,8H2,1-3H3,(H,14,15);3H,1-2,6H2,(H2,7,8)(H,9,10)/t10-;3-/m11/s1
InChIKeySJOJSDCOBLQYLP-OFPHIBKMSA-N
MW352.43 g/mol
LogP1.74
Rot. Bonds8

About (2R)-2,5-diamino-5-oxopentanoic acid;(2R)-2-[4-(2-methylpropyl)phenyl]propanoic acid

(2R)-2,5-diamino-5-oxopentanoic acid;(2R)-2-[4-(2-methylpropyl)phenyl]propanoic acid (PubChem CID 67811141) has the molecular formula C18H28N2O5 and a molecular weight of 352.43 g/mol. Its IUPAC name is (2R)-2,5-diamino-5-oxopentanoic acid;(2R)-2-[4-(2-methylpropyl)phenyl]propanoic acid.

Molecular Properties

Compound Name(2R)-2,5-diamino-5-oxopentanoic acid;(2R)-2-[4-(2-methylpropyl)phenyl]propanoic acid
PubChem CID67811141
Molecular FormulaC18H28N2O5
Molecular Weight352.43 g/mol
Exact Mass352.20
IUPAC Name(2R)-2,5-diamino-5-oxopentanoic acid;(2R)-2-[4-(2-methylpropyl)phenyl]propanoic acid
SMILESCC(C)Cc1ccc([C@@H](C)C(=O)O)cc1.NC(=O)CC[C@@H](N)C(=O)O
InChIInChI=1S/C13H18O2.C5H10N2O3/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15;6-3(5(9)10)1-2-4(7)8/h4-7,9-10H,8H2,1-3H3,(H,14,15);3H,1-2,6H2,(H2,7,8)(H,9,10)/t10-;3-/m11/s1
InChIKeySJOJSDCOBLQYLP-OFPHIBKMSA-N
XLogP1.74
TPSA143.71 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 51.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2,5-diamino-5-oxopentanoic acid;(2S)-2-[4-(2-methylpropyl)phenyl]propanoic acid
CID 67811083
CID 175760114
CID 175760114
Ibuprofen (sodium)
CID 45052535
(2S,3R)-2-amino-3-hydroxybutanoic acid;2-[4-(2-methylpropyl)phenyl]propanoic acid
CID 68525952
CID 169425922
CID 169425922
(2S)-2-amino-3-[(2S)-2-[4-(2-methylpropyl)phenyl]propanoyl]oxypropanoic acid
CID 67493555
2-amino-3-[4-(2-methylpropyl)phenyl]propanoic acid
CID 13406788
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;bis((2S)-2,5-diamino-5-oxopentanoic acid)
CID 23525132
1-(dimethylamino)ethanol;2-[4-(2-methylpropyl)phenyl]propanoic acid;hydrochloride
CID 70389408
bis((2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid);(2S)-2,5-diamino-5-oxopentanoic acid
CID 67572518
potassium;2-[4-(2-methylpropyl)phenyl]propanoate;2-[4-(2-methylpropyl)phenyl]propanoic acid
CID 46175191
ethane;3-[4-(2-methylpropyl)phenyl]butan-2-one
CID 144564568

Frequently Asked Questions

What is the IUPAC name of (2R)-2,5-diamino-5-oxopentanoic acid;(2R)-2-[4-(2-methylpropyl)phenyl]propanoic acid?
The IUPAC name of (2R)-2,5-diamino-5-oxopentanoic acid;(2R)-2-[4-(2-methylpropyl)phenyl]propanoic acid (CID 67811141) is (2R)-2,5-diamino-5-oxopentanoic acid;(2R)-2-[4-(2-methylpropyl)phenyl]propanoic acid.
What is the SMILES notation for (2R)-2,5-diamino-5-oxopentanoic acid;(2R)-2-[4-(2-methylpropyl)phenyl]propanoic acid?
The canonical SMILES for (2R)-2,5-diamino-5-oxopentanoic acid;(2R)-2-[4-(2-methylpropyl)phenyl]propanoic acid is CC(C)Cc1ccc([C@@H](C)C(=O)O)cc1.NC(=O)CC[C@@H](N)C(=O)O.
What is the InChIKey of (2R)-2,5-diamino-5-oxopentanoic acid;(2R)-2-[4-(2-methylpropyl)phenyl]propanoic acid?
The InChIKey is SJOJSDCOBLQYLP-OFPHIBKMSA-N. The full InChI is InChI=1S/C13H18O2.C5H10N2O3/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15;6-3(5(9)10)1-2-4(7)8/h4-7,9-10H,8H2,1-3H3,(H,14,15);3H,1-2,6H2,(H2,7,8)(H,9,10)/t10-;3-/m11/s1.
What are the key properties of (2R)-2,5-diamino-5-oxopentanoic acid;(2R)-2-[4-(2-methylpropyl)phenyl]propanoic acid?
(2R)-2,5-diamino-5-oxopentanoic acid;(2R)-2-[4-(2-methylpropyl)phenyl]propanoic acid has a molecular weight of 352.43 g/mol, XLogP of 1.74, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,5-diamino-5-oxopentanoic acid;(2R)-2-[4-(2-methylpropyl)phenyl]propanoic acid is sourced from PubChem (CID 67811141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).