(2S)-2-amino-2-(1-bromonaphthalen-2-yl)acetic acid

C12H10BrNO2 — CID 66513273

IUPAC(2S)-2-amino-2-(1-bromonaphthalen-2-yl)acetic acid
SMILESN[C@H](C(=O)O)c1ccc2ccccc2c1Br
InChIInChI=1S/C12H10BrNO2/c13-10-8-4-2-1-3-7(8)5-6-9(10)11(14)12(15)16/h1-6,11H,14H2,(H,15,16)/t11-/m0/s1
InChIKeyQFIURCVCOWVBDD-NSHDSACASA-N
MW280.12 g/mol
LogP2.69
Rot. Bonds2

About (2S)-2-amino-2-(1-bromonaphthalen-2-yl)acetic acid

(2S)-2-amino-2-(1-bromonaphthalen-2-yl)acetic acid (PubChem CID 66513273) has the molecular formula C12H10BrNO2 and a molecular weight of 280.12 g/mol. Its IUPAC name is (2S)-2-amino-2-(1-bromonaphthalen-2-yl)acetic acid.

Molecular Properties

Compound Name(2S)-2-amino-2-(1-bromonaphthalen-2-yl)acetic acid
PubChem CID66513273
Molecular FormulaC12H10BrNO2
Molecular Weight280.12 g/mol
Exact Mass278.99
IUPAC Name(2S)-2-amino-2-(1-bromonaphthalen-2-yl)acetic acid
SMILESN[C@H](C(=O)O)c1ccc2ccccc2c1Br
InChIInChI=1S/C12H10BrNO2/c13-10-8-4-2-1-3-7(8)5-6-9(10)11(14)12(15)16/h1-6,11H,14H2,(H,15,16)/t11-/m0/s1
InChIKeyQFIURCVCOWVBDD-NSHDSACASA-N
XLogP2.69
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.12
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(1-bromonaphthalen-2-yl)acetic acid?
The IUPAC name of (2S)-2-amino-2-(1-bromonaphthalen-2-yl)acetic acid (CID 66513273) is (2S)-2-amino-2-(1-bromonaphthalen-2-yl)acetic acid.
What is the SMILES notation for (2S)-2-amino-2-(1-bromonaphthalen-2-yl)acetic acid?
The canonical SMILES for (2S)-2-amino-2-(1-bromonaphthalen-2-yl)acetic acid is N[C@H](C(=O)O)c1ccc2ccccc2c1Br.
What is the InChIKey of (2S)-2-amino-2-(1-bromonaphthalen-2-yl)acetic acid?
The InChIKey is QFIURCVCOWVBDD-NSHDSACASA-N. The full InChI is InChI=1S/C12H10BrNO2/c13-10-8-4-2-1-3-7(8)5-6-9(10)11(14)12(15)16/h1-6,11H,14H2,(H,15,16)/t11-/m0/s1.
What are the key properties of (2S)-2-amino-2-(1-bromonaphthalen-2-yl)acetic acid?
(2S)-2-amino-2-(1-bromonaphthalen-2-yl)acetic acid has a molecular weight of 280.12 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(1-bromonaphthalen-2-yl)acetic acid is sourced from PubChem (CID 66513273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).