(2S)-2-amino-5-(3-carboxypropylamino)-5-oxopentanoic acid

C9H16N2O5 — CID 23724570

IUPAC(2S)-2-amino-5-(3-carboxypropylamino)-5-oxopentanoic acid
SMILESN[C@@H](CCC(=O)NCCCC(=O)O)C(=O)O
InChIInChI=1S/C9H16N2O5/c10-6(9(15)16)3-4-7(12)11-5-1-2-8(13)14/h6H,1-5,10H2,(H,11,12)(H,13,14)(H,15,16)/t6-/m0/s1
InChIKeyMKYPKZSGLSOGLL-LURJTMIESA-N
MW232.24 g/mol
LogP-0.84
Rot. Bonds8

About (2S)-2-amino-5-(3-carboxypropylamino)-5-oxopentanoic acid

(2S)-2-amino-5-(3-carboxypropylamino)-5-oxopentanoic acid (PubChem CID 23724570) has the molecular formula C9H16N2O5 and a molecular weight of 232.24 g/mol. Its IUPAC name is (2S)-2-amino-5-(3-carboxypropylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-5-(3-carboxypropylamino)-5-oxopentanoic acid
PubChem CID23724570
Molecular FormulaC9H16N2O5
Molecular Weight232.24 g/mol
Exact Mass232.11
IUPAC Name(2S)-2-amino-5-(3-carboxypropylamino)-5-oxopentanoic acid
SMILESN[C@@H](CCC(=O)NCCCC(=O)O)C(=O)O
InChIInChI=1S/C9H16N2O5/c10-6(9(15)16)3-4-7(12)11-5-1-2-8(13)14/h6H,1-5,10H2,(H,11,12)(H,13,14)(H,15,16)/t6-/m0/s1
InChIKeyMKYPKZSGLSOGLL-LURJTMIESA-N
XLogP-0.84
TPSA129.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 5-0.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-(3-carboxypropylamino)-5-oxopentanoic acid?
The IUPAC name of (2S)-2-amino-5-(3-carboxypropylamino)-5-oxopentanoic acid (CID 23724570) is (2S)-2-amino-5-(3-carboxypropylamino)-5-oxopentanoic acid.
What is the SMILES notation for (2S)-2-amino-5-(3-carboxypropylamino)-5-oxopentanoic acid?
The canonical SMILES for (2S)-2-amino-5-(3-carboxypropylamino)-5-oxopentanoic acid is N[C@@H](CCC(=O)NCCCC(=O)O)C(=O)O.
What is the InChIKey of (2S)-2-amino-5-(3-carboxypropylamino)-5-oxopentanoic acid?
The InChIKey is MKYPKZSGLSOGLL-LURJTMIESA-N. The full InChI is InChI=1S/C9H16N2O5/c10-6(9(15)16)3-4-7(12)11-5-1-2-8(13)14/h6H,1-5,10H2,(H,11,12)(H,13,14)(H,15,16)/t6-/m0/s1.
What are the key properties of (2S)-2-amino-5-(3-carboxypropylamino)-5-oxopentanoic acid?
(2S)-2-amino-5-(3-carboxypropylamino)-5-oxopentanoic acid has a molecular weight of 232.24 g/mol, XLogP of -0.84, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-(3-carboxypropylamino)-5-oxopentanoic acid is sourced from PubChem (CID 23724570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).