(2S,4R)-2-amino-4-(3-aminopropyl)pentanedioic acid

C8H16N2O4 — CID 71574840

IUPAC(2S,4R)-2-amino-4-(3-aminopropyl)pentanedioic acid
SMILESNCCC[C@H](C[C@H](N)C(=O)O)C(=O)O
InChIInChI=1S/C8H16N2O4/c9-3-1-2-5(7(11)12)4-6(10)8(13)14/h5-6H,1-4,9-10H2,(H,11,12)(H,13,14)/t5-,6+/m1/s1
InChIKeyAPZMCUMLPRUVCO-RITPCOANSA-N
MW204.23 g/mol
LogP-0.77
Rot. Bonds7

About (2S,4R)-2-amino-4-(3-aminopropyl)pentanedioic acid

(2S,4R)-2-amino-4-(3-aminopropyl)pentanedioic acid (PubChem CID 71574840) has the molecular formula C8H16N2O4 and a molecular weight of 204.23 g/mol. Its IUPAC name is (2S,4R)-2-amino-4-(3-aminopropyl)pentanedioic acid.

Molecular Properties

Compound Name(2S,4R)-2-amino-4-(3-aminopropyl)pentanedioic acid
PubChem CID71574840
Molecular FormulaC8H16N2O4
Molecular Weight204.23 g/mol
Exact Mass204.11
IUPAC Name(2S,4R)-2-amino-4-(3-aminopropyl)pentanedioic acid
SMILESNCCC[C@H](C[C@H](N)C(=O)O)C(=O)O
InChIInChI=1S/C8H16N2O4/c9-3-1-2-5(7(11)12)4-6(10)8(13)14/h5-6H,1-4,9-10H2,(H,11,12)(H,13,14)/t5-,6+/m1/s1
InChIKeyAPZMCUMLPRUVCO-RITPCOANSA-N
XLogP-0.77
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 5-0.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-2-amino-4-(3-aminopropyl)pentanedioic acid?
The IUPAC name of (2S,4R)-2-amino-4-(3-aminopropyl)pentanedioic acid (CID 71574840) is (2S,4R)-2-amino-4-(3-aminopropyl)pentanedioic acid.
What is the SMILES notation for (2S,4R)-2-amino-4-(3-aminopropyl)pentanedioic acid?
The canonical SMILES for (2S,4R)-2-amino-4-(3-aminopropyl)pentanedioic acid is NCCC[C@H](C[C@H](N)C(=O)O)C(=O)O.
What is the InChIKey of (2S,4R)-2-amino-4-(3-aminopropyl)pentanedioic acid?
The InChIKey is APZMCUMLPRUVCO-RITPCOANSA-N. The full InChI is InChI=1S/C8H16N2O4/c9-3-1-2-5(7(11)12)4-6(10)8(13)14/h5-6H,1-4,9-10H2,(H,11,12)(H,13,14)/t5-,6+/m1/s1.
What are the key properties of (2S,4R)-2-amino-4-(3-aminopropyl)pentanedioic acid?
(2S,4R)-2-amino-4-(3-aminopropyl)pentanedioic acid has a molecular weight of 204.23 g/mol, XLogP of -0.77, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-2-amino-4-(3-aminopropyl)pentanedioic acid is sourced from PubChem (CID 71574840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).