(2R)-5-amino-2-(2-methoxyethylcarbamoylamino)-5-oxopentanoic acid

C9H17N3O5 — CID 107830441

IUPAC(2R)-5-amino-2-(2-methoxyethylcarbamoylamino)-5-oxopentanoic acid
SMILESCOCCNC(=O)N[C@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C9H17N3O5/c1-17-5-4-11-9(16)12-6(8(14)15)2-3-7(10)13/h6H,2-5H2,1H3,(H2,10,13)(H,14,15)(H2,11,12,16)/t6-/m1/s1
InChIKeyITZMYXFAMDSMEX-ZCFIWIBFSA-N
MW247.25 g/mol
LogP-1.35
Rot. Bonds8

About (2R)-5-amino-2-(2-methoxyethylcarbamoylamino)-5-oxopentanoic acid

(2R)-5-amino-2-(2-methoxyethylcarbamoylamino)-5-oxopentanoic acid (PubChem CID 107830441) has the molecular formula C9H17N3O5 and a molecular weight of 247.25 g/mol. Its IUPAC name is (2R)-5-amino-2-(2-methoxyethylcarbamoylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-5-amino-2-(2-methoxyethylcarbamoylamino)-5-oxopentanoic acid
PubChem CID107830441
Molecular FormulaC9H17N3O5
Molecular Weight247.25 g/mol
Exact Mass247.12
IUPAC Name(2R)-5-amino-2-(2-methoxyethylcarbamoylamino)-5-oxopentanoic acid
SMILESCOCCNC(=O)N[C@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C9H17N3O5/c1-17-5-4-11-9(16)12-6(8(14)15)2-3-7(10)13/h6H,2-5H2,1H3,(H2,10,13)(H,14,15)(H2,11,12,16)/t6-/m1/s1
InChIKeyITZMYXFAMDSMEX-ZCFIWIBFSA-N
XLogP-1.35
TPSA130.75 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 5-1.35
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

(2R)-5-methoxy-2-(2-methoxyethylcarbamoylamino)-5-oxopentanoic acid
CID 107825526
(2R)-5-amino-2-(3-ethoxypropylcarbamoylamino)-5-oxopentanoic acid
CID 114006057
5-amino-5-oxo-2-(3-propoxypropylcarbamoylamino)pentanoic acid
CID 82943639
5-amino-2-(butylcarbamoylamino)-5-oxopentanoic acid
CID 43210525
(2R)-5-amino-2-(3,3-dimethylbutylcarbamoylamino)-5-oxopentanoic acid
CID 114006135
5-amino-2-(3,3-dimethylbutylcarbamoylamino)-5-oxopentanoic acid
CID 103995818
(2R)-5-amino-2-(1-methoxypropan-2-ylcarbamoylamino)-5-oxopentanoic acid
CID 107830456
5-amino-5-oxo-2-[[3-oxo-3-(propan-2-ylamino)propyl]carbamoylamino]pentanoic acid
CID 103995632
(2S)-5-amino-2-(3-aminopropylcarbamoylamino)-5-oxopentanoic acid
CID 62273655
(2R)-5-amino-2-(hexylcarbamoylamino)-5-oxopentanoic acid
CID 107830921
(2R)-5-amino-2-(5-methylhexylcarbamoylamino)-5-oxopentanoic acid
CID 107831034
(2R)-5-methoxy-2-(4-methoxybutylcarbamoylamino)-5-oxopentanoic acid
CID 107827213

Frequently Asked Questions

What is the IUPAC name of (2R)-5-amino-2-(2-methoxyethylcarbamoylamino)-5-oxopentanoic acid?
The IUPAC name of (2R)-5-amino-2-(2-methoxyethylcarbamoylamino)-5-oxopentanoic acid (CID 107830441) is (2R)-5-amino-2-(2-methoxyethylcarbamoylamino)-5-oxopentanoic acid.
What is the SMILES notation for (2R)-5-amino-2-(2-methoxyethylcarbamoylamino)-5-oxopentanoic acid?
The canonical SMILES for (2R)-5-amino-2-(2-methoxyethylcarbamoylamino)-5-oxopentanoic acid is COCCNC(=O)N[C@H](CCC(N)=O)C(=O)O.
What is the InChIKey of (2R)-5-amino-2-(2-methoxyethylcarbamoylamino)-5-oxopentanoic acid?
The InChIKey is ITZMYXFAMDSMEX-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H17N3O5/c1-17-5-4-11-9(16)12-6(8(14)15)2-3-7(10)13/h6H,2-5H2,1H3,(H2,10,13)(H,14,15)(H2,11,12,16)/t6-/m1/s1.
What are the key properties of (2R)-5-amino-2-(2-methoxyethylcarbamoylamino)-5-oxopentanoic acid?
(2R)-5-amino-2-(2-methoxyethylcarbamoylamino)-5-oxopentanoic acid has a molecular weight of 247.25 g/mol, XLogP of -1.35, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-amino-2-(2-methoxyethylcarbamoylamino)-5-oxopentanoic acid is sourced from PubChem (CID 107830441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).