(2R)-2-aminopentanedioic acid

C5H9NO4 — CID 23327

IUPAC(2R)-2-aminopentanedioic acid
SMILESN[C@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m1/s1
InChIKeyWHUUTDBJXJRKMK-GSVOUGTGSA-N
MW147.13 g/mol
LogP-0.74
Rot. Bonds4

About (2R)-2-aminopentanedioic acid

(2R)-2-aminopentanedioic acid (PubChem CID 23327) has the molecular formula C5H9NO4 and a molecular weight of 147.13 g/mol. Its IUPAC name is (2R)-2-aminopentanedioic acid.

Molecular Properties

Compound Name(2R)-2-aminopentanedioic acid
PubChem CID23327
Molecular FormulaC5H9NO4
Molecular Weight147.13 g/mol
Exact Mass147.05
IUPAC Name(2R)-2-aminopentanedioic acid
SMILESN[C@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m1/s1
InChIKeyWHUUTDBJXJRKMK-GSVOUGTGSA-N
XLogP-0.74
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.13
LogP ≤ 5-0.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-aminopentanedioic acid?
The IUPAC name of (2R)-2-aminopentanedioic acid (CID 23327) is (2R)-2-aminopentanedioic acid.
What is the SMILES notation for (2R)-2-aminopentanedioic acid?
The canonical SMILES for (2R)-2-aminopentanedioic acid is N[C@H](CCC(=O)O)C(=O)O.
What is the InChIKey of (2R)-2-aminopentanedioic acid?
The InChIKey is WHUUTDBJXJRKMK-GSVOUGTGSA-N. The full InChI is InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m1/s1.
What are the key properties of (2R)-2-aminopentanedioic acid?
(2R)-2-aminopentanedioic acid has a molecular weight of 147.13 g/mol, XLogP of -0.74, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-aminopentanedioic acid is sourced from PubChem (CID 23327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).