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

C8H14N2O5 — CID 24905646

IUPAC(2S,4R)-2-amino-4-(3-amino-3-oxopropyl)pentanedioic acid
SMILESNC(=O)CC[C@H](C[C@H](N)C(=O)O)C(=O)O
InChIInChI=1S/C8H14N2O5/c9-5(8(14)15)3-4(7(12)13)1-2-6(10)11/h4-5H,1-3,9H2,(H2,10,11)(H,12,13)(H,14,15)/t4-,5+/m1/s1
InChIKeyBFKOJIBMYJQCOV-UHNVWZDZSA-N
MW218.21 g/mol
LogP-1.25
Rot. Bonds7

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

(2S,4R)-2-amino-4-(3-amino-3-oxopropyl)pentanedioic acid (PubChem CID 24905646) has the molecular formula C8H14N2O5 and a molecular weight of 218.21 g/mol. Its IUPAC name is (2S,4R)-2-amino-4-(3-amino-3-oxopropyl)pentanedioic acid.

Molecular Properties

Compound Name(2S,4R)-2-amino-4-(3-amino-3-oxopropyl)pentanedioic acid
PubChem CID24905646
Molecular FormulaC8H14N2O5
Molecular Weight218.21 g/mol
Exact Mass218.09
IUPAC Name(2S,4R)-2-amino-4-(3-amino-3-oxopropyl)pentanedioic acid
SMILESNC(=O)CC[C@H](C[C@H](N)C(=O)O)C(=O)O
InChIInChI=1S/C8H14N2O5/c9-5(8(14)15)3-4(7(12)13)1-2-6(10)11/h4-5H,1-3,9H2,(H2,10,11)(H,12,13)(H,14,15)/t4-,5+/m1/s1
InChIKeyBFKOJIBMYJQCOV-UHNVWZDZSA-N
XLogP-1.25
TPSA143.71 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 5-1.25
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-amino-3-oxopropyl)pentanedioic acid?
The IUPAC name of (2S,4R)-2-amino-4-(3-amino-3-oxopropyl)pentanedioic acid (CID 24905646) is (2S,4R)-2-amino-4-(3-amino-3-oxopropyl)pentanedioic acid.
What is the SMILES notation for (2S,4R)-2-amino-4-(3-amino-3-oxopropyl)pentanedioic acid?
The canonical SMILES for (2S,4R)-2-amino-4-(3-amino-3-oxopropyl)pentanedioic acid is NC(=O)CC[C@H](C[C@H](N)C(=O)O)C(=O)O.
What is the InChIKey of (2S,4R)-2-amino-4-(3-amino-3-oxopropyl)pentanedioic acid?
The InChIKey is BFKOJIBMYJQCOV-UHNVWZDZSA-N. The full InChI is InChI=1S/C8H14N2O5/c9-5(8(14)15)3-4(7(12)13)1-2-6(10)11/h4-5H,1-3,9H2,(H2,10,11)(H,12,13)(H,14,15)/t4-,5+/m1/s1.
What are the key properties of (2S,4R)-2-amino-4-(3-amino-3-oxopropyl)pentanedioic acid?
(2S,4R)-2-amino-4-(3-amino-3-oxopropyl)pentanedioic acid has a molecular weight of 218.21 g/mol, XLogP of -1.25, 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-amino-3-oxopropyl)pentanedioic acid is sourced from PubChem (CID 24905646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).