(2S,4S)-2-amino-4-(naphthalen-2-ylmethyl)pentanedioic acid

C16H17NO4 — CID 15839909

IUPAC(2S,4S)-2-amino-4-(naphthalen-2-ylmethyl)pentanedioic acid
SMILESN[C@@H](C[C@H](Cc1ccc2ccccc2c1)C(=O)O)C(=O)O
InChIInChI=1S/C16H17NO4/c17-14(16(20)21)9-13(15(18)19)8-10-5-6-11-3-1-2-4-12(11)7-10/h1-7,13-14H,8-9,17H2,(H,18,19)(H,20,21)/t13-,14-/m0/s1
InChIKeyYDWIUFASTTZKNI-KBPBESRZSA-N
MW287.31 g/mol
LogP1.89
Rot. Bonds6

About (2S,4S)-2-amino-4-(naphthalen-2-ylmethyl)pentanedioic acid

(2S,4S)-2-amino-4-(naphthalen-2-ylmethyl)pentanedioic acid (PubChem CID 15839909) has the molecular formula C16H17NO4 and a molecular weight of 287.31 g/mol. Its IUPAC name is (2S,4S)-2-amino-4-(naphthalen-2-ylmethyl)pentanedioic acid.

Molecular Properties

Compound Name(2S,4S)-2-amino-4-(naphthalen-2-ylmethyl)pentanedioic acid
PubChem CID15839909
Molecular FormulaC16H17NO4
Molecular Weight287.31 g/mol
Exact Mass287.12
IUPAC Name(2S,4S)-2-amino-4-(naphthalen-2-ylmethyl)pentanedioic acid
SMILESN[C@@H](C[C@H](Cc1ccc2ccccc2c1)C(=O)O)C(=O)O
InChIInChI=1S/C16H17NO4/c17-14(16(20)21)9-13(15(18)19)8-10-5-6-11-3-1-2-4-12(11)7-10/h1-7,13-14H,8-9,17H2,(H,18,19)(H,20,21)/t13-,14-/m0/s1
InChIKeyYDWIUFASTTZKNI-KBPBESRZSA-N
XLogP1.89
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-amino-4-(naphthalen-2-ylmethyl)pentanedioic acid?
The IUPAC name of (2S,4S)-2-amino-4-(naphthalen-2-ylmethyl)pentanedioic acid (CID 15839909) is (2S,4S)-2-amino-4-(naphthalen-2-ylmethyl)pentanedioic acid.
What is the SMILES notation for (2S,4S)-2-amino-4-(naphthalen-2-ylmethyl)pentanedioic acid?
The canonical SMILES for (2S,4S)-2-amino-4-(naphthalen-2-ylmethyl)pentanedioic acid is N[C@@H](C[C@H](Cc1ccc2ccccc2c1)C(=O)O)C(=O)O.
What is the InChIKey of (2S,4S)-2-amino-4-(naphthalen-2-ylmethyl)pentanedioic acid?
The InChIKey is YDWIUFASTTZKNI-KBPBESRZSA-N. The full InChI is InChI=1S/C16H17NO4/c17-14(16(20)21)9-13(15(18)19)8-10-5-6-11-3-1-2-4-12(11)7-10/h1-7,13-14H,8-9,17H2,(H,18,19)(H,20,21)/t13-,14-/m0/s1.
What are the key properties of (2S,4S)-2-amino-4-(naphthalen-2-ylmethyl)pentanedioic acid?
(2S,4S)-2-amino-4-(naphthalen-2-ylmethyl)pentanedioic acid has a molecular weight of 287.31 g/mol, XLogP of 1.89, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-amino-4-(naphthalen-2-ylmethyl)pentanedioic acid is sourced from PubChem (CID 15839909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).