(2R)-2-[[(2R)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]propanoic acid

C16H23NO3 — CID 11242882

IUPAC(2R)-2-[[(2R)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]propanoic acid
SMILESCC(C)Cc1ccc([C@@H](C)C(=O)N[C@H](C)C(=O)O)cc1
InChIInChI=1S/C16H23NO3/c1-10(2)9-13-5-7-14(8-6-13)11(3)15(18)17-12(4)16(19)20/h5-8,10-12H,9H2,1-4H3,(H,17,18)(H,19,20)/t11-,12-/m1/s1
InChIKeyPHTJCAIHAGIVHT-VXGBXAGGSA-N
MW277.36 g/mol
LogP2.58
Rot. Bonds6

About (2R)-2-[[(2R)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]propanoic acid

(2R)-2-[[(2R)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]propanoic acid (PubChem CID 11242882) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is (2R)-2-[[(2R)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[[(2R)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]propanoic acid
PubChem CID11242882
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name(2R)-2-[[(2R)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]propanoic acid
SMILESCC(C)Cc1ccc([C@@H](C)C(=O)N[C@H](C)C(=O)O)cc1
InChIInChI=1S/C16H23NO3/c1-10(2)9-13-5-7-14(8-6-13)11(3)15(18)17-12(4)16(19)20/h5-8,10-12H,9H2,1-4H3,(H,17,18)(H,19,20)/t11-,12-/m1/s1
InChIKeyPHTJCAIHAGIVHT-VXGBXAGGSA-N
XLogP2.58
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2R)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]propanoic acid?
The IUPAC name of (2R)-2-[[(2R)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]propanoic acid (CID 11242882) is (2R)-2-[[(2R)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]propanoic acid.
What is the SMILES notation for (2R)-2-[[(2R)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]propanoic acid?
The canonical SMILES for (2R)-2-[[(2R)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]propanoic acid is CC(C)Cc1ccc([C@@H](C)C(=O)N[C@H](C)C(=O)O)cc1.
What is the InChIKey of (2R)-2-[[(2R)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]propanoic acid?
The InChIKey is PHTJCAIHAGIVHT-VXGBXAGGSA-N. The full InChI is InChI=1S/C16H23NO3/c1-10(2)9-13-5-7-14(8-6-13)11(3)15(18)17-12(4)16(19)20/h5-8,10-12H,9H2,1-4H3,(H,17,18)(H,19,20)/t11-,12-/m1/s1.
What are the key properties of (2R)-2-[[(2R)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]propanoic acid?
(2R)-2-[[(2R)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]propanoic acid has a molecular weight of 277.36 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(2R)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]propanoic acid is sourced from PubChem (CID 11242882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).