(2R)-2-(naphthalen-1-ylcarbamoylamino)butanedioic acid

C15H14N2O5 — CID 40606625

IUPAC(2R)-2-(naphthalen-1-ylcarbamoylamino)butanedioic acid
SMILESO=C(O)C[C@@H](NC(=O)Nc1cccc2ccccc12)C(=O)O
InChIInChI=1S/C15H14N2O5/c18-13(19)8-12(14(20)21)17-15(22)16-11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12H,8H2,(H,18,19)(H,20,21)(H2,16,17,22)/t12-/m1/s1
InChIKeyBKEZUXWHLDKFAS-GFCCVEGCSA-N
MW302.29 g/mol
LogP1.89
Rot. Bonds5

About (2R)-2-(naphthalen-1-ylcarbamoylamino)butanedioic acid

(2R)-2-(naphthalen-1-ylcarbamoylamino)butanedioic acid (PubChem CID 40606625) has the molecular formula C15H14N2O5 and a molecular weight of 302.29 g/mol. Its IUPAC name is (2R)-2-(naphthalen-1-ylcarbamoylamino)butanedioic acid.

Molecular Properties

Compound Name(2R)-2-(naphthalen-1-ylcarbamoylamino)butanedioic acid
PubChem CID40606625
Molecular FormulaC15H14N2O5
Molecular Weight302.29 g/mol
Exact Mass302.09
IUPAC Name(2R)-2-(naphthalen-1-ylcarbamoylamino)butanedioic acid
SMILESO=C(O)C[C@@H](NC(=O)Nc1cccc2ccccc12)C(=O)O
InChIInChI=1S/C15H14N2O5/c18-13(19)8-12(14(20)21)17-15(22)16-11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12H,8H2,(H,18,19)(H,20,21)(H2,16,17,22)/t12-/m1/s1
InChIKeyBKEZUXWHLDKFAS-GFCCVEGCSA-N
XLogP1.89
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 51.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(naphthalen-1-ylcarbamoylamino)pentanedioic acid
CID 95559600
(2S)-4-hydroxy-2-(naphthalen-1-ylcarbamoylamino)butanoic acid
CID 107823831
2-(naphthalen-1-ylamino)butanedioic acid
CID 115144291
2-(naphthalen-1-ylcarbamoylamino)-2-phenylacetic acid
CID 13306003
3-amino-4-(naphthalen-1-ylamino)-4-oxobutanoic acid
CID 64896628
(2R)-2-[[2-(dimethylamino)phenyl]carbamoylamino]butanedioic acid
CID 106760427
1-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 177491059
1-naphthalen-1-yl-3-[5-(naphthalen-1-ylcarbamoylamino)naphthalen-1-yl]urea
CID 27190755
(2R)-2-[[(2R)-2-(naphthalen-1-ylcarbamoylamino)propanoyl]amino]-3-phenylpropanoic acid
CID 40571772
(2S)-3-methoxy-2-(naphthalen-1-ylcarbamoylamino)propanamide
CID 99796982
(2S)-3-hydroxy-2-(isoquinolin-5-ylcarbamoylamino)propanoic acid
CID 61204121
1-[(2S)-butan-2-yl]-3-naphthalen-1-ylurea
CID 2241028

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(naphthalen-1-ylcarbamoylamino)butanedioic acid?
The IUPAC name of (2R)-2-(naphthalen-1-ylcarbamoylamino)butanedioic acid (CID 40606625) is (2R)-2-(naphthalen-1-ylcarbamoylamino)butanedioic acid.
What is the SMILES notation for (2R)-2-(naphthalen-1-ylcarbamoylamino)butanedioic acid?
The canonical SMILES for (2R)-2-(naphthalen-1-ylcarbamoylamino)butanedioic acid is O=C(O)C[C@@H](NC(=O)Nc1cccc2ccccc12)C(=O)O.
What is the InChIKey of (2R)-2-(naphthalen-1-ylcarbamoylamino)butanedioic acid?
The InChIKey is BKEZUXWHLDKFAS-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H14N2O5/c18-13(19)8-12(14(20)21)17-15(22)16-11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12H,8H2,(H,18,19)(H,20,21)(H2,16,17,22)/t12-/m1/s1.
What are the key properties of (2R)-2-(naphthalen-1-ylcarbamoylamino)butanedioic acid?
(2R)-2-(naphthalen-1-ylcarbamoylamino)butanedioic acid has a molecular weight of 302.29 g/mol, XLogP of 1.89, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(naphthalen-1-ylcarbamoylamino)butanedioic acid is sourced from PubChem (CID 40606625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).