(2R)-2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]-5-methoxy-5-oxopentanoic acid

C12H21N3O6 — CID 107826825

IUPAC(2R)-2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]-5-methoxy-5-oxopentanoic acid
SMILESCCNC(=O)C(C)NC(=O)N[C@H](CCC(=O)OC)C(=O)O
InChIInChI=1S/C12H21N3O6/c1-4-13-10(17)7(2)14-12(20)15-8(11(18)19)5-6-9(16)21-3/h7-8H,4-6H2,1-3H3,(H,13,17)(H,18,19)(H2,14,15,20)/t7?,8-/m1/s1
InChIKeyRIPWUQZXWJHNMU-BRFYHDHCSA-N
MW303.32 g/mol
LogP-0.78
Rot. Bonds8

About (2R)-2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]-5-methoxy-5-oxopentanoic acid

(2R)-2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]-5-methoxy-5-oxopentanoic acid (PubChem CID 107826825) has the molecular formula C12H21N3O6 and a molecular weight of 303.32 g/mol. Its IUPAC name is (2R)-2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]-5-methoxy-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]-5-methoxy-5-oxopentanoic acid
PubChem CID107826825
Molecular FormulaC12H21N3O6
Molecular Weight303.32 g/mol
Exact Mass303.14
IUPAC Name(2R)-2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]-5-methoxy-5-oxopentanoic acid
SMILESCCNC(=O)C(C)NC(=O)N[C@H](CCC(=O)OC)C(=O)O
InChIInChI=1S/C12H21N3O6/c1-4-13-10(17)7(2)14-12(20)15-8(11(18)19)5-6-9(16)21-3/h7-8H,4-6H2,1-3H3,(H,13,17)(H,18,19)(H2,14,15,20)/t7?,8-/m1/s1
InChIKeyRIPWUQZXWJHNMU-BRFYHDHCSA-N
XLogP-0.78
TPSA133.83 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 5-0.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (2R)-2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]-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

(2R)-2-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-5-methoxy-5-oxopentanoic acid
CID 114005417
2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]-4-methylsulfanylbutanoic acid
CID 61479056
(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
2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]-4-methylpentanoic acid
CID 61479018
(2R)-2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]carbamoylamino]pentanoic acid
CID 107567522
(2R)-5-methoxy-2-(2-methoxypropylcarbamoylamino)-5-oxopentanoic acid
CID 114005908
(2R)-2-(1-ethylsulfanylpropan-2-ylcarbamoylamino)-5-methoxy-5-oxopentanoic acid
CID 107829145
(2R)-2-(2-aminoethylcarbamoylamino)-5-methoxy-5-oxopentanoic acid
CID 107826511
(2R)-5-methoxy-2-(4-methylpentylcarbamoylamino)-5-oxopentanoic acid
CID 107827677
(2S)-2-[[(2S)-1-(2-fluoroethylamino)-1-oxopropan-2-yl]carbamoylamino]pentanedioic acid
CID 122617160
(2S)-2-[1-(dimethylamino)propan-2-ylcarbamoylamino]-5-methoxy-5-oxopentanoic acid
CID 107828696

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]-5-methoxy-5-oxopentanoic acid?
The IUPAC name of (2R)-2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]-5-methoxy-5-oxopentanoic acid (CID 107826825) is (2R)-2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]-5-methoxy-5-oxopentanoic acid.
What is the SMILES notation for (2R)-2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]-5-methoxy-5-oxopentanoic acid?
The canonical SMILES for (2R)-2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]-5-methoxy-5-oxopentanoic acid is CCNC(=O)C(C)NC(=O)N[C@H](CCC(=O)OC)C(=O)O.
What is the InChIKey of (2R)-2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]-5-methoxy-5-oxopentanoic acid?
The InChIKey is RIPWUQZXWJHNMU-BRFYHDHCSA-N. The full InChI is InChI=1S/C12H21N3O6/c1-4-13-10(17)7(2)14-12(20)15-8(11(18)19)5-6-9(16)21-3/h7-8H,4-6H2,1-3H3,(H,13,17)(H,18,19)(H2,14,15,20)/t7?,8-/m1/s1.
What are the key properties of (2R)-2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]-5-methoxy-5-oxopentanoic acid?
(2R)-2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]-5-methoxy-5-oxopentanoic acid has a molecular weight of 303.32 g/mol, XLogP of -0.78, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]-5-methoxy-5-oxopentanoic acid is sourced from PubChem (CID 107826825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).