(2R)-4-hydroxy-2-[(2-naphthalen-1-ylacetyl)amino]butanoic acid

C16H17NO4 — CID 107823520

IUPAC(2R)-4-hydroxy-2-[(2-naphthalen-1-ylacetyl)amino]butanoic acid
SMILESO=C(Cc1cccc2ccccc12)N[C@H](CCO)C(=O)O
InChIInChI=1S/C16H17NO4/c18-9-8-14(16(20)21)17-15(19)10-12-6-3-5-11-4-1-2-7-13(11)12/h1-7,14,18H,8-10H2,(H,17,19)(H,20,21)/t14-/m1/s1
InChIKeyBOCTUIDDORMKHM-CQSZACIVSA-N
MW287.31 g/mol
LogP1.33
Rot. Bonds6

About (2R)-4-hydroxy-2-[(2-naphthalen-1-ylacetyl)amino]butanoic acid

(2R)-4-hydroxy-2-[(2-naphthalen-1-ylacetyl)amino]butanoic acid (PubChem CID 107823520) has the molecular formula C16H17NO4 and a molecular weight of 287.31 g/mol. Its IUPAC name is (2R)-4-hydroxy-2-[(2-naphthalen-1-ylacetyl)amino]butanoic acid.

Molecular Properties

Compound Name(2R)-4-hydroxy-2-[(2-naphthalen-1-ylacetyl)amino]butanoic acid
PubChem CID107823520
Molecular FormulaC16H17NO4
Molecular Weight287.31 g/mol
Exact Mass287.12
IUPAC Name(2R)-4-hydroxy-2-[(2-naphthalen-1-ylacetyl)amino]butanoic acid
SMILESO=C(Cc1cccc2ccccc12)N[C@H](CCO)C(=O)O
InChIInChI=1S/C16H17NO4/c18-9-8-14(16(20)21)17-15(19)10-12-6-3-5-11-4-1-2-7-13(11)12/h1-7,14,18H,8-10H2,(H,17,19)(H,20,21)/t14-/m1/s1
InChIKeyBOCTUIDDORMKHM-CQSZACIVSA-N
XLogP1.33
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-amino-2-[(2-naphthalen-1-ylacetyl)amino]hexanoic acid
CID 154945512
4-hydroxy-2-[[2-(2-hydroxyphenyl)acetyl]amino]butanoic acid
CID 80741384
2-[[2-(2-fluorophenyl)acetyl]amino]-4-hydroxybutanoic acid
CID 61244543
(2R)-2-[(2-naphthalen-1-ylacetyl)amino]propanoic acid
CID 2088738
(2S)-4-hydroxy-2-(naphthalen-1-ylcarbamoylamino)butanoic acid
CID 107823831
(2S)-2-(6-hydroxyhexanoylamino)-3-naphthalen-1-ylpropanoic acid
CID 68734772
(2R)-2-[[2-(2,6-difluorophenyl)acetyl]amino]-4-hydroxybutanoic acid
CID 107822798
(2S)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoic acid
CID 2084038
(2S)-4-hydroxy-2-[(3-oxo-4-phenylbutanoyl)amino]butanoic acid
CID 123752589
2-naphthalen-1-yl-N-[(1S)-1-phenylethyl]acetamide
CID 1225206
(2S)-3-naphthalen-1-yl-2-(naphthalen-1-ylmethylamino)propanoic acid
CID 18728959
N-(1-hydroxy-3-methylbutan-2-yl)-2-naphthalen-1-ylacetamide
CID 79252551

Frequently Asked Questions

What is the IUPAC name of (2R)-4-hydroxy-2-[(2-naphthalen-1-ylacetyl)amino]butanoic acid?
The IUPAC name of (2R)-4-hydroxy-2-[(2-naphthalen-1-ylacetyl)amino]butanoic acid (CID 107823520) is (2R)-4-hydroxy-2-[(2-naphthalen-1-ylacetyl)amino]butanoic acid.
What is the SMILES notation for (2R)-4-hydroxy-2-[(2-naphthalen-1-ylacetyl)amino]butanoic acid?
The canonical SMILES for (2R)-4-hydroxy-2-[(2-naphthalen-1-ylacetyl)amino]butanoic acid is O=C(Cc1cccc2ccccc12)N[C@H](CCO)C(=O)O.
What is the InChIKey of (2R)-4-hydroxy-2-[(2-naphthalen-1-ylacetyl)amino]butanoic acid?
The InChIKey is BOCTUIDDORMKHM-CQSZACIVSA-N. The full InChI is InChI=1S/C16H17NO4/c18-9-8-14(16(20)21)17-15(19)10-12-6-3-5-11-4-1-2-7-13(11)12/h1-7,14,18H,8-10H2,(H,17,19)(H,20,21)/t14-/m1/s1.
What are the key properties of (2R)-4-hydroxy-2-[(2-naphthalen-1-ylacetyl)amino]butanoic acid?
(2R)-4-hydroxy-2-[(2-naphthalen-1-ylacetyl)amino]butanoic acid has a molecular weight of 287.31 g/mol, XLogP of 1.33, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-hydroxy-2-[(2-naphthalen-1-ylacetyl)amino]butanoic acid is sourced from PubChem (CID 107823520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).