(2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-phenylbutanoic acid

C16H23NO4 — CID 21341525

IUPAC(2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-phenylbutanoic acid
SMILESCN(C(=O)OC(C)(C)C)[C@H](CCc1ccccc1)C(=O)O
InChIInChI=1S/C16H23NO4/c1-16(2,3)21-15(20)17(4)13(14(18)19)11-10-12-8-6-5-7-9-12/h5-9,13H,10-11H2,1-4H3,(H,18,19)/t13-/m1/s1
InChIKeyYNXLVCPGFCPBNQ-CYBMUJFWSA-N
MW293.36 g/mol
LogP2.94
Rot. Bonds5

About (2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-phenylbutanoic acid

(2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-phenylbutanoic acid (PubChem CID 21341525) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is (2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-phenylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-phenylbutanoic acid
PubChem CID21341525
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name(2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-phenylbutanoic acid
SMILESCN(C(=O)OC(C)(C)C)[C@H](CCc1ccccc1)C(=O)O
InChIInChI=1S/C16H23NO4/c1-16(2,3)21-15(20)17(4)13(14(18)19)11-10-12-8-6-5-7-9-12/h5-9,13H,10-11H2,1-4H3,(H,18,19)/t13-/m1/s1
InChIKeyYNXLVCPGFCPBNQ-CYBMUJFWSA-N
XLogP2.94
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-phenylbutanoic acid?
The IUPAC name of (2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-phenylbutanoic acid (CID 21341525) is (2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-phenylbutanoic acid.
What is the SMILES notation for (2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-phenylbutanoic acid?
The canonical SMILES for (2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-phenylbutanoic acid is CN(C(=O)OC(C)(C)C)[C@H](CCc1ccccc1)C(=O)O.
What is the InChIKey of (2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-phenylbutanoic acid?
The InChIKey is YNXLVCPGFCPBNQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H23NO4/c1-16(2,3)21-15(20)17(4)13(14(18)19)11-10-12-8-6-5-7-9-12/h5-9,13H,10-11H2,1-4H3,(H,18,19)/t13-/m1/s1.
What are the key properties of (2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-phenylbutanoic acid?
(2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-phenylbutanoic acid has a molecular weight of 293.36 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-phenylbutanoic acid is sourced from PubChem (CID 21341525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).