(2R,3S)-3-hydroxy-2-[(2-naphthalen-1-yloxyacetyl)amino]butanoate

C16H16NO5- — CID 2308564

IUPAC(2R,3S)-3-hydroxy-2-[(2-naphthalen-1-yloxyacetyl)amino]butanoate
SMILESC[C@H](O)[C@@H](NC(=O)COc1cccc2ccccc12)C(=O)[O-]
InChIInChI=1S/C16H17NO5/c1-10(18)15(16(20)21)17-14(19)9-22-13-8-4-6-11-5-2-3-7-12(11)13/h2-8,10,15,18H,9H2,1H3,(H,17,19)(H,20,21)/p-1/t10-,15+/m0/s1
InChIKeyLPXIKJFFJRVELW-ZUZCIYMTSA-M
MW302.31 g/mol
LogP-0.17
Rot. Bonds6

About (2R,3S)-3-hydroxy-2-[(2-naphthalen-1-yloxyacetyl)amino]butanoate

(2R,3S)-3-hydroxy-2-[(2-naphthalen-1-yloxyacetyl)amino]butanoate (PubChem CID 2308564) has the molecular formula C16H16NO5- and a molecular weight of 302.31 g/mol. Its IUPAC name is (2R,3S)-3-hydroxy-2-[(2-naphthalen-1-yloxyacetyl)amino]butanoate.

Molecular Properties

Compound Name(2R,3S)-3-hydroxy-2-[(2-naphthalen-1-yloxyacetyl)amino]butanoate
PubChem CID2308564
Molecular FormulaC16H16NO5-
Molecular Weight302.31 g/mol
Exact Mass302.10
IUPAC Name(2R,3S)-3-hydroxy-2-[(2-naphthalen-1-yloxyacetyl)amino]butanoate
SMILESC[C@H](O)[C@@H](NC(=O)COc1cccc2ccccc12)C(=O)[O-]
InChIInChI=1S/C16H17NO5/c1-10(18)15(16(20)21)17-14(19)9-22-13-8-4-6-11-5-2-3-7-12(11)13/h2-8,10,15,18H,9H2,1H3,(H,17,19)(H,20,21)/p-1/t10-,15+/m0/s1
InChIKeyLPXIKJFFJRVELW-ZUZCIYMTSA-M
XLogP-0.17
TPSA98.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-naphthalen-1-yloxy-N-(1-phenylethyl)acetamide
CID 4513591
N-(4-methylpentan-2-yl)-2-naphthalen-1-yloxyacetamide
CID 11839391
N-[(1S)-1-cyclopropylethyl]-2-naphthalen-1-yloxyacetamide
CID 9014883
(2S)-3-methyl-2-[[2-(2-methylphenoxy)acetyl]amino]butanoate
CID 9157397
N-[1-(4-fluorophenyl)ethyl]-2-naphthalen-1-yloxyacetamide
CID 42976197
(2S)-2-[[(2S)-3-methyl-2-[(2-naphthalen-1-yloxyacetyl)amino]butanoyl]amino]butanedioic acid
CID 20659576
N-[1-(furan-2-yl)ethyl]-2-naphthalen-1-yloxyacetamide
CID 60594643
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-naphthalen-1-yloxyacetamide
CID 92679204
N-[1-(4-methylsulfonylphenyl)ethyl]-2-naphthalen-1-yloxyacetamide
CID 17489088
3-hydroxy-2-[[2-(2-methoxyphenoxy)acetyl]amino]butanoic acid
CID 43238739
N'-acetyl-2-naphthalen-1-yloxyacetohydrazide
CID 922179
3-methyl-1-naphthalen-1-yloxybutan-2-one
CID 79395677

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-hydroxy-2-[(2-naphthalen-1-yloxyacetyl)amino]butanoate?
The IUPAC name of (2R,3S)-3-hydroxy-2-[(2-naphthalen-1-yloxyacetyl)amino]butanoate (CID 2308564) is (2R,3S)-3-hydroxy-2-[(2-naphthalen-1-yloxyacetyl)amino]butanoate.
What is the SMILES notation for (2R,3S)-3-hydroxy-2-[(2-naphthalen-1-yloxyacetyl)amino]butanoate?
The canonical SMILES for (2R,3S)-3-hydroxy-2-[(2-naphthalen-1-yloxyacetyl)amino]butanoate is C[C@H](O)[C@@H](NC(=O)COc1cccc2ccccc12)C(=O)[O-].
What is the InChIKey of (2R,3S)-3-hydroxy-2-[(2-naphthalen-1-yloxyacetyl)amino]butanoate?
The InChIKey is LPXIKJFFJRVELW-ZUZCIYMTSA-M. The full InChI is InChI=1S/C16H17NO5/c1-10(18)15(16(20)21)17-14(19)9-22-13-8-4-6-11-5-2-3-7-12(11)13/h2-8,10,15,18H,9H2,1H3,(H,17,19)(H,20,21)/p-1/t10-,15+/m0/s1.
What are the key properties of (2R,3S)-3-hydroxy-2-[(2-naphthalen-1-yloxyacetyl)amino]butanoate?
(2R,3S)-3-hydroxy-2-[(2-naphthalen-1-yloxyacetyl)amino]butanoate has a molecular weight of 302.31 g/mol, XLogP of -0.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-hydroxy-2-[(2-naphthalen-1-yloxyacetyl)amino]butanoate is sourced from PubChem (CID 2308564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).