(2R)-5-amino-5-oxo-2-(3-propoxypropanoylamino)pentanoic acid

C11H20N2O5 — CID 107830090

IUPAC(2R)-5-amino-5-oxo-2-(3-propoxypropanoylamino)pentanoic acid
SMILESCCCOCCC(=O)N[C@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C11H20N2O5/c1-2-6-18-7-5-10(15)13-8(11(16)17)3-4-9(12)14/h8H,2-7H2,1H3,(H2,12,14)(H,13,15)(H,16,17)/t8-/m1/s1
InChIKeyDVHUSUKMUBZDFM-MRVPVSSYSA-N
MW260.29 g/mol
LogP-0.36
Rot. Bonds10

About (2R)-5-amino-5-oxo-2-(3-propoxypropanoylamino)pentanoic acid

(2R)-5-amino-5-oxo-2-(3-propoxypropanoylamino)pentanoic acid (PubChem CID 107830090) has the molecular formula C11H20N2O5 and a molecular weight of 260.29 g/mol. Its IUPAC name is (2R)-5-amino-5-oxo-2-(3-propoxypropanoylamino)pentanoic acid.

Molecular Properties

Compound Name(2R)-5-amino-5-oxo-2-(3-propoxypropanoylamino)pentanoic acid
PubChem CID107830090
Molecular FormulaC11H20N2O5
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Name(2R)-5-amino-5-oxo-2-(3-propoxypropanoylamino)pentanoic acid
SMILESCCCOCCC(=O)N[C@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C11H20N2O5/c1-2-6-18-7-5-10(15)13-8(11(16)17)3-4-9(12)14/h8H,2-7H2,1H3,(H2,12,14)(H,13,15)(H,16,17)/t8-/m1/s1
InChIKeyDVHUSUKMUBZDFM-MRVPVSSYSA-N
XLogP-0.36
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
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 ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-5-amino-5-oxo-2-(3-propoxypropanoylamino)pentanoic acid
CID 55104203
(2S)-5-amino-2-(3-ethoxypropanoylamino)-5-oxopentanoic acid
CID 62591193
(2S)-5-amino-5-oxo-2-[(2-propoxyacetyl)amino]pentanoic acid
CID 107937845
(2S)-2-(3-propoxypropanoylamino)hexanoic acid
CID 94548934
(2S)-5-amino-5-oxo-2-[3-(2,2,2-trifluoroethoxy)propanoylamino]pentanoic acid
CID 61144339
(2R)-3-hydroxy-2-(3-propoxypropanoylamino)propanoic acid
CID 80750974
5-[[5-[[5-[[4-[[5-[(5-amino-1-methoxy-1,5-dioxopentan-2-yl)amino]-1-methoxy-1,5-dioxopentan-2-yl]amino]-1-carboxy-4-oxobutyl]amino]-1-methoxy-1,5-dioxopentan-2-yl]amino]-1-methoxy-1,5-dioxopentan-2-yl]amino]-2-[[4-[[4-(butanoylamino)-5-methoxy-5-oxopentanoyl]amino]-5-methoxy-5-oxopentanoyl]amino]-5-oxopentanoic acid
CID 177284901
(2S)-4-methylsulfanyl-2-(3-propoxypropanoylamino)butanoic acid
CID 62715100
(2S)-5-amino-2-(nonadecanoylamino)-5-oxopentanoic acid
CID 171116797
(2S)-5-amino-2-(hexadecanoylamino)-5-oxopentanoic acid
CID 52922071
5-amino-5-oxo-2-(tetradecanoylamino)pentanoic acid
CID 18318649
(2R)-5-amino-2-(heptanoylamino)-5-oxopentanoic acid
CID 107830072

Frequently Asked Questions

What is the IUPAC name of (2R)-5-amino-5-oxo-2-(3-propoxypropanoylamino)pentanoic acid?
The IUPAC name of (2R)-5-amino-5-oxo-2-(3-propoxypropanoylamino)pentanoic acid (CID 107830090) is (2R)-5-amino-5-oxo-2-(3-propoxypropanoylamino)pentanoic acid.
What is the SMILES notation for (2R)-5-amino-5-oxo-2-(3-propoxypropanoylamino)pentanoic acid?
The canonical SMILES for (2R)-5-amino-5-oxo-2-(3-propoxypropanoylamino)pentanoic acid is CCCOCCC(=O)N[C@H](CCC(N)=O)C(=O)O.
What is the InChIKey of (2R)-5-amino-5-oxo-2-(3-propoxypropanoylamino)pentanoic acid?
The InChIKey is DVHUSUKMUBZDFM-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H20N2O5/c1-2-6-18-7-5-10(15)13-8(11(16)17)3-4-9(12)14/h8H,2-7H2,1H3,(H2,12,14)(H,13,15)(H,16,17)/t8-/m1/s1.
What are the key properties of (2R)-5-amino-5-oxo-2-(3-propoxypropanoylamino)pentanoic acid?
(2R)-5-amino-5-oxo-2-(3-propoxypropanoylamino)pentanoic acid has a molecular weight of 260.29 g/mol, XLogP of -0.36, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-amino-5-oxo-2-(3-propoxypropanoylamino)pentanoic acid is sourced from PubChem (CID 107830090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).