(2S)-2-(dinaphthalen-1-ylamino)propanoic acid

C23H19NO2 — CID 90731348

IUPAC(2S)-2-(dinaphthalen-1-ylamino)propanoic acid
SMILESC[C@@H](C(=O)O)N(c1cccc2ccccc12)c1cccc2ccccc12
InChIInChI=1S/C23H19NO2/c1-16(23(25)26)24(21-14-6-10-17-8-2-4-12-19(17)21)22-15-7-11-18-9-3-5-13-20(18)22/h2-16H,1H3,(H,25,26)/t16-/m0/s1
InChIKeyZWFFRRNZNNWOOK-INIZCTEOSA-N
MW341.41 g/mol
LogP5.60
Rot. Bonds4

About (2S)-2-(dinaphthalen-1-ylamino)propanoic acid

(2S)-2-(dinaphthalen-1-ylamino)propanoic acid (PubChem CID 90731348) has the molecular formula C23H19NO2 and a molecular weight of 341.41 g/mol. Its IUPAC name is (2S)-2-(dinaphthalen-1-ylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(dinaphthalen-1-ylamino)propanoic acid
PubChem CID90731348
Molecular FormulaC23H19NO2
Molecular Weight341.41 g/mol
Exact Mass341.14
IUPAC Name(2S)-2-(dinaphthalen-1-ylamino)propanoic acid
SMILESC[C@@H](C(=O)O)N(c1cccc2ccccc12)c1cccc2ccccc12
InChIInChI=1S/C23H19NO2/c1-16(23(25)26)24(21-14-6-10-17-8-2-4-12-19(17)21)22-15-7-11-18-9-3-5-13-20(18)22/h2-16H,1H3,(H,25,26)/t16-/m0/s1
InChIKeyZWFFRRNZNNWOOK-INIZCTEOSA-N
XLogP5.60
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.41
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(dinaphthalen-1-ylamino)propanoic acid?
The IUPAC name of (2S)-2-(dinaphthalen-1-ylamino)propanoic acid (CID 90731348) is (2S)-2-(dinaphthalen-1-ylamino)propanoic acid.
What is the SMILES notation for (2S)-2-(dinaphthalen-1-ylamino)propanoic acid?
The canonical SMILES for (2S)-2-(dinaphthalen-1-ylamino)propanoic acid is C[C@@H](C(=O)O)N(c1cccc2ccccc12)c1cccc2ccccc12.
What is the InChIKey of (2S)-2-(dinaphthalen-1-ylamino)propanoic acid?
The InChIKey is ZWFFRRNZNNWOOK-INIZCTEOSA-N. The full InChI is InChI=1S/C23H19NO2/c1-16(23(25)26)24(21-14-6-10-17-8-2-4-12-19(17)21)22-15-7-11-18-9-3-5-13-20(18)22/h2-16H,1H3,(H,25,26)/t16-/m0/s1.
What are the key properties of (2S)-2-(dinaphthalen-1-ylamino)propanoic acid?
(2S)-2-(dinaphthalen-1-ylamino)propanoic acid has a molecular weight of 341.41 g/mol, XLogP of 5.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(dinaphthalen-1-ylamino)propanoic acid is sourced from PubChem (CID 90731348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).