(2S)-2-(ethylamino)pentanedioic acid

C7H13NO4 — CID 10197919

IUPAC(2S)-2-(ethylamino)pentanedioic acid
SMILESCCN[C@@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C7H13NO4/c1-2-8-5(7(11)12)3-4-6(9)10/h5,8H,2-4H2,1H3,(H,9,10)(H,11,12)/t5-/m0/s1
InChIKeyBIAZEQPYCCADLD-YFKPBYRVSA-N
MW175.18 g/mol
LogP-0.09
Rot. Bonds6

About (2S)-2-(ethylamino)pentanedioic acid

(2S)-2-(ethylamino)pentanedioic acid (PubChem CID 10197919) has the molecular formula C7H13NO4 and a molecular weight of 175.18 g/mol. Its IUPAC name is (2S)-2-(ethylamino)pentanedioic acid.

Molecular Properties

Compound Name(2S)-2-(ethylamino)pentanedioic acid
PubChem CID10197919
Molecular FormulaC7H13NO4
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Name(2S)-2-(ethylamino)pentanedioic acid
SMILESCCN[C@@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C7H13NO4/c1-2-8-5(7(11)12)3-4-6(9)10/h5,8H,2-4H2,1H3,(H,9,10)(H,11,12)/t5-/m0/s1
InChIKeyBIAZEQPYCCADLD-YFKPBYRVSA-N
XLogP-0.09
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(ethylamino)pentanedioic acid?
The IUPAC name of (2S)-2-(ethylamino)pentanedioic acid (CID 10197919) is (2S)-2-(ethylamino)pentanedioic acid.
What is the SMILES notation for (2S)-2-(ethylamino)pentanedioic acid?
The canonical SMILES for (2S)-2-(ethylamino)pentanedioic acid is CCN[C@@H](CCC(=O)O)C(=O)O.
What is the InChIKey of (2S)-2-(ethylamino)pentanedioic acid?
The InChIKey is BIAZEQPYCCADLD-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H13NO4/c1-2-8-5(7(11)12)3-4-6(9)10/h5,8H,2-4H2,1H3,(H,9,10)(H,11,12)/t5-/m0/s1.
What are the key properties of (2S)-2-(ethylamino)pentanedioic acid?
(2S)-2-(ethylamino)pentanedioic acid has a molecular weight of 175.18 g/mol, XLogP of -0.09, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(ethylamino)pentanedioic acid is sourced from PubChem (CID 10197919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).