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

C16H16N2O5 — CID 95559600

IUPAC(2R)-2-(naphthalen-1-ylcarbamoylamino)pentanedioic acid
SMILESO=C(O)CC[C@@H](NC(=O)Nc1cccc2ccccc12)C(=O)O
InChIInChI=1S/C16H16N2O5/c19-14(20)9-8-13(15(21)22)18-16(23)17-12-7-3-5-10-4-1-2-6-11(10)12/h1-7,13H,8-9H2,(H,19,20)(H,21,22)(H2,17,18,23)/t13-/m1/s1
InChIKeyRUFTXGQJJCXTRN-CYBMUJFWSA-N
MW316.31 g/mol
LogP2.28
Rot. Bonds6

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

(2R)-2-(naphthalen-1-ylcarbamoylamino)pentanedioic acid (PubChem CID 95559600) has the molecular formula C16H16N2O5 and a molecular weight of 316.31 g/mol. Its IUPAC name is (2R)-2-(naphthalen-1-ylcarbamoylamino)pentanedioic acid.

Molecular Properties

Compound Name(2R)-2-(naphthalen-1-ylcarbamoylamino)pentanedioic acid
PubChem CID95559600
Molecular FormulaC16H16N2O5
Molecular Weight316.31 g/mol
Exact Mass316.11
IUPAC Name(2R)-2-(naphthalen-1-ylcarbamoylamino)pentanedioic acid
SMILESO=C(O)CC[C@@H](NC(=O)Nc1cccc2ccccc12)C(=O)O
InChIInChI=1S/C16H16N2O5/c19-14(20)9-8-13(15(21)22)18-16(23)17-12-7-3-5-10-4-1-2-6-11(10)12/h1-7,13H,8-9H2,(H,19,20)(H,21,22)(H2,17,18,23)/t13-/m1/s1
InChIKeyRUFTXGQJJCXTRN-CYBMUJFWSA-N
XLogP2.28
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 52.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-4-hydroxy-2-(naphthalen-1-ylcarbamoylamino)butanoic acid
CID 107823831
(2R)-2-(naphthalen-1-ylcarbamoylamino)butanedioic acid
CID 40606625
2-[(2-methylsulfanylphenyl)carbamoylamino]pentanedioic acid
CID 107642342
2-(naphthalen-1-ylcarbamoylamino)-2-phenylacetic acid
CID 13306003
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
2-(naphthalen-1-ylamino)butanedioic acid
CID 115144291
(2R)-2-[[(2R)-2-(naphthalen-1-ylcarbamoylamino)propanoyl]amino]-3-phenylpropanoic acid
CID 40571772
2-[(5-chloro-2-fluorophenyl)carbamoylamino]pentanedioic acid
CID 61197126
(2S)-3-methoxy-2-(naphthalen-1-ylcarbamoylamino)propanamide
CID 99796982
2-[(2,4-difluorophenyl)carbamoylamino]pentanedioic acid
CID 60828611
(2S)-2-[(3-bromophenyl)carbamoylamino]pentanedioic acid
CID 61190320

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(naphthalen-1-ylcarbamoylamino)pentanedioic acid?
The IUPAC name of (2R)-2-(naphthalen-1-ylcarbamoylamino)pentanedioic acid (CID 95559600) is (2R)-2-(naphthalen-1-ylcarbamoylamino)pentanedioic acid.
What is the SMILES notation for (2R)-2-(naphthalen-1-ylcarbamoylamino)pentanedioic acid?
The canonical SMILES for (2R)-2-(naphthalen-1-ylcarbamoylamino)pentanedioic acid is O=C(O)CC[C@@H](NC(=O)Nc1cccc2ccccc12)C(=O)O.
What is the InChIKey of (2R)-2-(naphthalen-1-ylcarbamoylamino)pentanedioic acid?
The InChIKey is RUFTXGQJJCXTRN-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H16N2O5/c19-14(20)9-8-13(15(21)22)18-16(23)17-12-7-3-5-10-4-1-2-6-11(10)12/h1-7,13H,8-9H2,(H,19,20)(H,21,22)(H2,17,18,23)/t13-/m1/s1.
What are the key properties of (2R)-2-(naphthalen-1-ylcarbamoylamino)pentanedioic acid?
(2R)-2-(naphthalen-1-ylcarbamoylamino)pentanedioic acid has a molecular weight of 316.31 g/mol, XLogP of 2.28, 6 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)pentanedioic acid is sourced from PubChem (CID 95559600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).