(2S,4R)-2-amino-4-propylpentanedioic acid

C8H15NO4 — CID 11745400

IUPAC(2S,4R)-2-amino-4-propylpentanedioic acid
SMILESCCC[C@H](C[C@H](N)C(=O)O)C(=O)O
InChIInChI=1S/C8H15NO4/c1-2-3-5(7(10)11)4-6(9)8(12)13/h5-6H,2-4,9H2,1H3,(H,10,11)(H,12,13)/t5-,6+/m1/s1
InChIKeyKXVTWKUIWACPEZ-RITPCOANSA-N
MW189.21 g/mol
LogP0.29
Rot. Bonds6

About (2S,4R)-2-amino-4-propylpentanedioic acid

(2S,4R)-2-amino-4-propylpentanedioic acid (PubChem CID 11745400) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is (2S,4R)-2-amino-4-propylpentanedioic acid.

Molecular Properties

Compound Name(2S,4R)-2-amino-4-propylpentanedioic acid
PubChem CID11745400
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Name(2S,4R)-2-amino-4-propylpentanedioic acid
SMILESCCC[C@H](C[C@H](N)C(=O)O)C(=O)O
InChIInChI=1S/C8H15NO4/c1-2-3-5(7(10)11)4-6(9)8(12)13/h5-6H,2-4,9H2,1H3,(H,10,11)(H,12,13)/t5-,6+/m1/s1
InChIKeyKXVTWKUIWACPEZ-RITPCOANSA-N
XLogP0.29
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-2-amino-4-propylpentanedioic acid?
The IUPAC name of (2S,4R)-2-amino-4-propylpentanedioic acid (CID 11745400) is (2S,4R)-2-amino-4-propylpentanedioic acid.
What is the SMILES notation for (2S,4R)-2-amino-4-propylpentanedioic acid?
The canonical SMILES for (2S,4R)-2-amino-4-propylpentanedioic acid is CCC[C@H](C[C@H](N)C(=O)O)C(=O)O.
What is the InChIKey of (2S,4R)-2-amino-4-propylpentanedioic acid?
The InChIKey is KXVTWKUIWACPEZ-RITPCOANSA-N. The full InChI is InChI=1S/C8H15NO4/c1-2-3-5(7(10)11)4-6(9)8(12)13/h5-6H,2-4,9H2,1H3,(H,10,11)(H,12,13)/t5-,6+/m1/s1.
What are the key properties of (2S,4R)-2-amino-4-propylpentanedioic acid?
(2S,4R)-2-amino-4-propylpentanedioic acid has a molecular weight of 189.21 g/mol, XLogP of 0.29, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-2-amino-4-propylpentanedioic acid is sourced from PubChem (CID 11745400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).