(2S,4S)-2-amino-4-[hydroxy(pyridin-4-yl)methyl]pentanedioic acid

C11H14N2O5 — CID 135783884

IUPAC(2S,4S)-2-amino-4-[hydroxy(pyridin-4-yl)methyl]pentanedioic acid
SMILESN[C@@H](C[C@H](C(=O)O)C(O)c1ccncc1)C(=O)O
InChIInChI=1S/C11H14N2O5/c12-8(11(17)18)5-7(10(15)16)9(14)6-1-3-13-4-2-6/h1-4,7-9,14H,5,12H2,(H,15,16)(H,17,18)/t7-,8-,9?/m0/s1
InChIKeyVYKZFWLLOWQCFL-JVIMKECRSA-N
MW254.24 g/mol
LogP-0.38
Rot. Bonds6

About (2S,4S)-2-amino-4-[hydroxy(pyridin-4-yl)methyl]pentanedioic acid

(2S,4S)-2-amino-4-[hydroxy(pyridin-4-yl)methyl]pentanedioic acid (PubChem CID 135783884) has the molecular formula C11H14N2O5 and a molecular weight of 254.24 g/mol. Its IUPAC name is (2S,4S)-2-amino-4-[hydroxy(pyridin-4-yl)methyl]pentanedioic acid.

Molecular Properties

Compound Name(2S,4S)-2-amino-4-[hydroxy(pyridin-4-yl)methyl]pentanedioic acid
PubChem CID135783884
Molecular FormulaC11H14N2O5
Molecular Weight254.24 g/mol
Exact Mass254.09
IUPAC Name(2S,4S)-2-amino-4-[hydroxy(pyridin-4-yl)methyl]pentanedioic acid
SMILESN[C@@H](C[C@H](C(=O)O)C(O)c1ccncc1)C(=O)O
InChIInChI=1S/C11H14N2O5/c12-8(11(17)18)5-7(10(15)16)9(14)6-1-3-13-4-2-6/h1-4,7-9,14H,5,12H2,(H,15,16)(H,17,18)/t7-,8-,9?/m0/s1
InChIKeyVYKZFWLLOWQCFL-JVIMKECRSA-N
XLogP-0.38
TPSA133.74 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 5-0.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-amino-4-[hydroxy(pyridin-4-yl)methyl]pentanedioic acid?
The IUPAC name of (2S,4S)-2-amino-4-[hydroxy(pyridin-4-yl)methyl]pentanedioic acid (CID 135783884) is (2S,4S)-2-amino-4-[hydroxy(pyridin-4-yl)methyl]pentanedioic acid.
What is the SMILES notation for (2S,4S)-2-amino-4-[hydroxy(pyridin-4-yl)methyl]pentanedioic acid?
The canonical SMILES for (2S,4S)-2-amino-4-[hydroxy(pyridin-4-yl)methyl]pentanedioic acid is N[C@@H](C[C@H](C(=O)O)C(O)c1ccncc1)C(=O)O.
What is the InChIKey of (2S,4S)-2-amino-4-[hydroxy(pyridin-4-yl)methyl]pentanedioic acid?
The InChIKey is VYKZFWLLOWQCFL-JVIMKECRSA-N. The full InChI is InChI=1S/C11H14N2O5/c12-8(11(17)18)5-7(10(15)16)9(14)6-1-3-13-4-2-6/h1-4,7-9,14H,5,12H2,(H,15,16)(H,17,18)/t7-,8-,9?/m0/s1.
What are the key properties of (2S,4S)-2-amino-4-[hydroxy(pyridin-4-yl)methyl]pentanedioic acid?
(2S,4S)-2-amino-4-[hydroxy(pyridin-4-yl)methyl]pentanedioic acid has a molecular weight of 254.24 g/mol, XLogP of -0.38, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-amino-4-[hydroxy(pyridin-4-yl)methyl]pentanedioic acid is sourced from PubChem (CID 135783884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).