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

C9H17N3O5 — CID 107826511

IUPAC(2R)-2-(2-aminoethylcarbamoylamino)-5-methoxy-5-oxopentanoic acid
SMILESCOC(=O)CC[C@@H](NC(=O)NCCN)C(=O)O
InChIInChI=1S/C9H17N3O5/c1-17-7(13)3-2-6(8(14)15)12-9(16)11-5-4-10/h6H,2-5,10H2,1H3,(H,14,15)(H2,11,12,16)/t6-/m1/s1
InChIKeyIPIOZPNKNNMBNZ-ZCFIWIBFSA-N
MW247.25 g/mol
LogP-1.35
Rot. Bonds7

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

(2R)-2-(2-aminoethylcarbamoylamino)-5-methoxy-5-oxopentanoic acid (PubChem CID 107826511) has the molecular formula C9H17N3O5 and a molecular weight of 247.25 g/mol. Its IUPAC name is (2R)-2-(2-aminoethylcarbamoylamino)-5-methoxy-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-2-(2-aminoethylcarbamoylamino)-5-methoxy-5-oxopentanoic acid
PubChem CID107826511
Molecular FormulaC9H17N3O5
Molecular Weight247.25 g/mol
Exact Mass247.12
IUPAC Name(2R)-2-(2-aminoethylcarbamoylamino)-5-methoxy-5-oxopentanoic acid
SMILESCOC(=O)CC[C@@H](NC(=O)NCCN)C(=O)O
InChIInChI=1S/C9H17N3O5/c1-17-7(13)3-2-6(8(14)15)12-9(16)11-5-4-10/h6H,2-5,10H2,1H3,(H,14,15)(H2,11,12,16)/t6-/m1/s1
InChIKeyIPIOZPNKNNMBNZ-ZCFIWIBFSA-N
XLogP-1.35
TPSA130.75 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
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 ≤ 105

Analyze (2R)-2-(2-aminoethylcarbamoylamino)-5-methoxy-5-oxopentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[2-(carbamoylamino)ethylcarbamoylamino]-5-methoxy-5-oxopentanoic acid
CID 107828756
(2R)-5-methoxy-2-(2-methoxyethylcarbamoylamino)-5-oxopentanoic acid
CID 107825526
(2R)-2-[[3-(ethylamino)-3-oxopropyl]carbamoylamino]-5-methoxy-5-oxopentanoic acid
CID 107828859
(2S)-2-[[3-(ethylamino)-3-oxopropyl]carbamoylamino]-5-methoxy-5-oxopentanoic acid
CID 107828861
(2R)-5-methoxy-2-(4-methylpentylcarbamoylamino)-5-oxopentanoic acid
CID 107827677
(2R)-5-methoxy-5-oxo-2-(pentylcarbamoylamino)pentanoic acid
CID 107825606
(2S)-5-methoxy-2-[3-(methylamino)propylcarbamoylamino]-5-oxopentanoic acid
CID 107826533
(2R)-2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-5-methoxy-5-oxopentanoic acid
CID 107827547
(2R)-2-(2-ethoxyethylcarbamoylamino)-5-methoxy-5-oxopentanoic acid
CID 114005434
(2R)-5-methoxy-2-(4-methoxybutylcarbamoylamino)-5-oxopentanoic acid
CID 107827213
(2R)-5-methoxy-5-oxo-2-(pent-3-ynylcarbamoylamino)pentanoic acid
CID 114005886
(2R)-5-methoxy-2-[2-(2-methylpropoxy)ethylcarbamoylamino]-5-oxopentanoic acid
CID 107829264

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-aminoethylcarbamoylamino)-5-methoxy-5-oxopentanoic acid?
The IUPAC name of (2R)-2-(2-aminoethylcarbamoylamino)-5-methoxy-5-oxopentanoic acid (CID 107826511) is (2R)-2-(2-aminoethylcarbamoylamino)-5-methoxy-5-oxopentanoic acid.
What is the SMILES notation for (2R)-2-(2-aminoethylcarbamoylamino)-5-methoxy-5-oxopentanoic acid?
The canonical SMILES for (2R)-2-(2-aminoethylcarbamoylamino)-5-methoxy-5-oxopentanoic acid is COC(=O)CC[C@@H](NC(=O)NCCN)C(=O)O.
What is the InChIKey of (2R)-2-(2-aminoethylcarbamoylamino)-5-methoxy-5-oxopentanoic acid?
The InChIKey is IPIOZPNKNNMBNZ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H17N3O5/c1-17-7(13)3-2-6(8(14)15)12-9(16)11-5-4-10/h6H,2-5,10H2,1H3,(H,14,15)(H2,11,12,16)/t6-/m1/s1.
What are the key properties of (2R)-2-(2-aminoethylcarbamoylamino)-5-methoxy-5-oxopentanoic acid?
(2R)-2-(2-aminoethylcarbamoylamino)-5-methoxy-5-oxopentanoic acid has a molecular weight of 247.25 g/mol, XLogP of -1.35, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-aminoethylcarbamoylamino)-5-methoxy-5-oxopentanoic acid is sourced from PubChem (CID 107826511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).