(2R)-5-amino-2-(3-ethoxypropylcarbamoylamino)-5-oxopentanoic acid

C11H21N3O5 — CID 114006057

IUPAC(2R)-5-amino-2-(3-ethoxypropylcarbamoylamino)-5-oxopentanoic acid
SMILESCCOCCCNC(=O)N[C@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C11H21N3O5/c1-2-19-7-3-6-13-11(18)14-8(10(16)17)4-5-9(12)15/h8H,2-7H2,1H3,(H2,12,15)(H,16,17)(H2,13,14,18)/t8-/m1/s1
InChIKeyLARQIPDFHMDLQQ-MRVPVSSYSA-N
MW275.31 g/mol
LogP-0.57
Rot. Bonds10

About (2R)-5-amino-2-(3-ethoxypropylcarbamoylamino)-5-oxopentanoic acid

(2R)-5-amino-2-(3-ethoxypropylcarbamoylamino)-5-oxopentanoic acid (PubChem CID 114006057) has the molecular formula C11H21N3O5 and a molecular weight of 275.31 g/mol. Its IUPAC name is (2R)-5-amino-2-(3-ethoxypropylcarbamoylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-5-amino-2-(3-ethoxypropylcarbamoylamino)-5-oxopentanoic acid
PubChem CID114006057
Molecular FormulaC11H21N3O5
Molecular Weight275.31 g/mol
Exact Mass275.15
IUPAC Name(2R)-5-amino-2-(3-ethoxypropylcarbamoylamino)-5-oxopentanoic acid
SMILESCCOCCCNC(=O)N[C@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C11H21N3O5/c1-2-19-7-3-6-13-11(18)14-8(10(16)17)4-5-9(12)15/h8H,2-7H2,1H3,(H2,12,15)(H,16,17)(H2,13,14,18)/t8-/m1/s1
InChIKeyLARQIPDFHMDLQQ-MRVPVSSYSA-N
XLogP-0.57
TPSA130.75 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 5-0.57
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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Related Compounds

5-amino-5-oxo-2-(3-propoxypropylcarbamoylamino)pentanoic acid
CID 82943639
5-amino-2-(butylcarbamoylamino)-5-oxopentanoic acid
CID 43210525
(2R)-5-amino-2-(hexylcarbamoylamino)-5-oxopentanoic acid
CID 107830921
(2S)-2-(3-propoxypropylcarbamoylamino)pentanedioic acid
CID 82944278
(2R)-5-amino-2-(2-methoxyethylcarbamoylamino)-5-oxopentanoic acid
CID 107830441
(2S)-2-[(4-amino-4-oxobutyl)carbamoylamino]pentanoic acid
CID 107566288
(2S)-5-amino-2-(3-aminopropylcarbamoylamino)-5-oxopentanoic acid
CID 62273655
(2R)-5-amino-2-(5-methylhexylcarbamoylamino)-5-oxopentanoic acid
CID 107831034
(2S)-5-amino-2-(3-ethoxypropanoylamino)-5-oxopentanoic acid
CID 62591193
(2R)-5-amino-2-[3-(diethylamino)propylcarbamoylamino]-5-oxopentanoic acid
CID 107830495
5-amino-2-(3-ethylsulfanylpropylcarbamoylamino)-5-oxopentanoic acid
CID 114248323
(2R)-2-(2-ethoxyethylcarbamoylamino)-5-methoxy-5-oxopentanoic acid
CID 114005434

Frequently Asked Questions

What is the IUPAC name of (2R)-5-amino-2-(3-ethoxypropylcarbamoylamino)-5-oxopentanoic acid?
The IUPAC name of (2R)-5-amino-2-(3-ethoxypropylcarbamoylamino)-5-oxopentanoic acid (CID 114006057) is (2R)-5-amino-2-(3-ethoxypropylcarbamoylamino)-5-oxopentanoic acid.
What is the SMILES notation for (2R)-5-amino-2-(3-ethoxypropylcarbamoylamino)-5-oxopentanoic acid?
The canonical SMILES for (2R)-5-amino-2-(3-ethoxypropylcarbamoylamino)-5-oxopentanoic acid is CCOCCCNC(=O)N[C@H](CCC(N)=O)C(=O)O.
What is the InChIKey of (2R)-5-amino-2-(3-ethoxypropylcarbamoylamino)-5-oxopentanoic acid?
The InChIKey is LARQIPDFHMDLQQ-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H21N3O5/c1-2-19-7-3-6-13-11(18)14-8(10(16)17)4-5-9(12)15/h8H,2-7H2,1H3,(H2,12,15)(H,16,17)(H2,13,14,18)/t8-/m1/s1.
What are the key properties of (2R)-5-amino-2-(3-ethoxypropylcarbamoylamino)-5-oxopentanoic acid?
(2R)-5-amino-2-(3-ethoxypropylcarbamoylamino)-5-oxopentanoic acid has a molecular weight of 275.31 g/mol, XLogP of -0.57, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-amino-2-(3-ethoxypropylcarbamoylamino)-5-oxopentanoic acid is sourced from PubChem (CID 114006057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).