(2R)-2-(5-aminopentanoylamino)-5-methoxy-5-oxopentanoic acid

C11H20N2O5 — CID 113342345

IUPAC(2R)-2-(5-aminopentanoylamino)-5-methoxy-5-oxopentanoic acid
SMILESCOC(=O)CC[C@@H](NC(=O)CCCCN)C(=O)O
InChIInChI=1S/C11H20N2O5/c1-18-10(15)6-5-8(11(16)17)13-9(14)4-2-3-7-12/h8H,2-7,12H2,1H3,(H,13,14)(H,16,17)/t8-/m1/s1
InChIKeyBWDHVMXNOYFPCC-MRVPVSSYSA-N
MW260.29 g/mol
LogP-0.36
Rot. Bonds9

About (2R)-2-(5-aminopentanoylamino)-5-methoxy-5-oxopentanoic acid

(2R)-2-(5-aminopentanoylamino)-5-methoxy-5-oxopentanoic acid (PubChem CID 113342345) has the molecular formula C11H20N2O5 and a molecular weight of 260.29 g/mol. Its IUPAC name is (2R)-2-(5-aminopentanoylamino)-5-methoxy-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-2-(5-aminopentanoylamino)-5-methoxy-5-oxopentanoic acid
PubChem CID113342345
Molecular FormulaC11H20N2O5
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Name(2R)-2-(5-aminopentanoylamino)-5-methoxy-5-oxopentanoic acid
SMILESCOC(=O)CC[C@@H](NC(=O)CCCCN)C(=O)O
InChIInChI=1S/C11H20N2O5/c1-18-10(15)6-5-8(11(16)17)13-9(14)4-2-3-7-12/h8H,2-7,12H2,1H3,(H,13,14)(H,16,17)/t8-/m1/s1
InChIKeyBWDHVMXNOYFPCC-MRVPVSSYSA-N
XLogP-0.36
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(6-aminohexanoylamino)-5-methoxy-5-oxopentanoic acid
CID 82787226
2-(7-aminoheptanoylamino)-4-methoxybutanoic acid
CID 62478125
2-(6-aminohexanoylamino)pentanedioic acid;ethane
CID 142985665
(2S)-2-(5-aminopentanoylamino)pentanoic acid
CID 103869799
(2S)-6-amino-2-(8-aminooctanoylamino)hexanoic acid
CID 118249963
6-amino-2-(6-aminohexanoylamino)hexanoic acid
CID 19028400
2-(7-aminoheptanoylamino)hexanoic acid
CID 61161785
(2R)-2-(4-ethoxybutanoylamino)-5-methoxy-5-oxopentanoic acid
CID 107820770
2-[[2-(2-aminoethoxy)acetyl]amino]-5-methoxy-5-oxopentanoic acid
CID 82786420
(2S)-6-amino-2-(heptadecanoylamino)hexanoic acid
CID 171116907
6-amino-2-(nonanoylamino)hexanoic acid
CID 22722100
18-[[(1S)-5-amino-1-carboxypentyl]amino]-18-oxooctadecanoic acid
CID 177296826

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(5-aminopentanoylamino)-5-methoxy-5-oxopentanoic acid?
The IUPAC name of (2R)-2-(5-aminopentanoylamino)-5-methoxy-5-oxopentanoic acid (CID 113342345) is (2R)-2-(5-aminopentanoylamino)-5-methoxy-5-oxopentanoic acid.
What is the SMILES notation for (2R)-2-(5-aminopentanoylamino)-5-methoxy-5-oxopentanoic acid?
The canonical SMILES for (2R)-2-(5-aminopentanoylamino)-5-methoxy-5-oxopentanoic acid is COC(=O)CC[C@@H](NC(=O)CCCCN)C(=O)O.
What is the InChIKey of (2R)-2-(5-aminopentanoylamino)-5-methoxy-5-oxopentanoic acid?
The InChIKey is BWDHVMXNOYFPCC-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H20N2O5/c1-18-10(15)6-5-8(11(16)17)13-9(14)4-2-3-7-12/h8H,2-7,12H2,1H3,(H,13,14)(H,16,17)/t8-/m1/s1.
What are the key properties of (2R)-2-(5-aminopentanoylamino)-5-methoxy-5-oxopentanoic acid?
(2R)-2-(5-aminopentanoylamino)-5-methoxy-5-oxopentanoic acid has a molecular weight of 260.29 g/mol, XLogP of -0.36, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(5-aminopentanoylamino)-5-methoxy-5-oxopentanoic acid is sourced from PubChem (CID 113342345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).