(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-phenylacetic acid

C14H19NO4 — CID 7010620

IUPAC(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-phenylacetic acid
SMILESCN(C(=O)OC(C)(C)C)[C@H](C(=O)O)c1ccccc1
InChIInChI=1S/C14H19NO4/c1-14(2,3)19-13(18)15(4)11(12(16)17)10-8-6-5-7-9-10/h5-9,11H,1-4H3,(H,16,17)/t11-/m0/s1
InChIKeyCOABPHLHHQAKPL-NSHDSACASA-N
MW265.31 g/mol
LogP2.68
Rot. Bonds3

About (2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-phenylacetic acid

(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-phenylacetic acid (PubChem CID 7010620) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is (2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-phenylacetic acid
PubChem CID7010620
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-phenylacetic acid
SMILESCN(C(=O)OC(C)(C)C)[C@H](C(=O)O)c1ccccc1
InChIInChI=1S/C14H19NO4/c1-14(2,3)19-13(18)15(4)11(12(16)17)10-8-6-5-7-9-10/h5-9,11H,1-4H3,(H,16,17)/t11-/m0/s1
InChIKeyCOABPHLHHQAKPL-NSHDSACASA-N
XLogP2.68
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-phenylacetic acid?
The IUPAC name of (2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-phenylacetic acid (CID 7010620) is (2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-phenylacetic acid.
What is the SMILES notation for (2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-phenylacetic acid?
The canonical SMILES for (2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-phenylacetic acid is CN(C(=O)OC(C)(C)C)[C@H](C(=O)O)c1ccccc1.
What is the InChIKey of (2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-phenylacetic acid?
The InChIKey is COABPHLHHQAKPL-NSHDSACASA-N. The full InChI is InChI=1S/C14H19NO4/c1-14(2,3)19-13(18)15(4)11(12(16)17)10-8-6-5-7-9-10/h5-9,11H,1-4H3,(H,16,17)/t11-/m0/s1.
What are the key properties of (2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-phenylacetic acid?
(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-phenylacetic acid has a molecular weight of 265.31 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-phenylacetic acid is sourced from PubChem (CID 7010620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).