(2R)-2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-5-methoxy-5-oxopentanoic acid

C12H23N3O5 — CID 107827547

IUPAC(2R)-2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-5-methoxy-5-oxopentanoic acid
SMILESCCN(C)CCNC(=O)N[C@H](CCC(=O)OC)C(=O)O
InChIInChI=1S/C12H23N3O5/c1-4-15(2)8-7-13-12(19)14-9(11(17)18)5-6-10(16)20-3/h9H,4-8H2,1-3H3,(H,17,18)(H2,13,14,19)/t9-/m1/s1
InChIKeyVNJMNAIKLYXLEE-SECBINFHSA-N
MW289.33 g/mol
LogP-0.36
Rot. Bonds9

About (2R)-2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-5-methoxy-5-oxopentanoic acid

(2R)-2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-5-methoxy-5-oxopentanoic acid (PubChem CID 107827547) has the molecular formula C12H23N3O5 and a molecular weight of 289.33 g/mol. Its IUPAC name is (2R)-2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-5-methoxy-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-5-methoxy-5-oxopentanoic acid
PubChem CID107827547
Molecular FormulaC12H23N3O5
Molecular Weight289.33 g/mol
Exact Mass289.16
IUPAC Name(2R)-2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-5-methoxy-5-oxopentanoic acid
SMILESCCN(C)CCNC(=O)N[C@H](CCC(=O)OC)C(=O)O
InChIInChI=1S/C12H23N3O5/c1-4-15(2)8-7-13-12(19)14-9(11(17)18)5-6-10(16)20-3/h9H,4-8H2,1-3H3,(H,17,18)(H2,13,14,19)/t9-/m1/s1
InChIKeyVNJMNAIKLYXLEE-SECBINFHSA-N
XLogP-0.36
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]pentanoic acid
CID 107566847
(2R)-2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-4-hydroxybutanoic acid
CID 107827546
(2R)-2-(2-aminoethylcarbamoylamino)-5-methoxy-5-oxopentanoic acid
CID 107826511
(2R)-2-[2-[cyclopropyl(methyl)amino]ethylcarbamoylamino]-5-methoxy-5-oxopentanoic acid
CID 107827644
(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-5-oxo-2-(pentylcarbamoylamino)pentanoic acid
CID 107825606
(2R)-5-methoxy-2-(2-methoxyethylcarbamoylamino)-5-oxopentanoic acid
CID 107825526
(2R)-2-(2-ethoxyethylcarbamoylamino)-5-methoxy-5-oxopentanoic acid
CID 114005434
(2S)-2-[2-(carbamoylamino)ethylcarbamoylamino]-5-methoxy-5-oxopentanoic acid
CID 107828756
(2S)-2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-4-methylpentanoic acid
CID 62635321
(2R)-5-methoxy-2-(4-methylpentylcarbamoylamino)-5-oxopentanoic acid
CID 107827677

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-5-methoxy-5-oxopentanoic acid?
The IUPAC name of (2R)-2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-5-methoxy-5-oxopentanoic acid (CID 107827547) is (2R)-2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-5-methoxy-5-oxopentanoic acid.
What is the SMILES notation for (2R)-2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-5-methoxy-5-oxopentanoic acid?
The canonical SMILES for (2R)-2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-5-methoxy-5-oxopentanoic acid is CCN(C)CCNC(=O)N[C@H](CCC(=O)OC)C(=O)O.
What is the InChIKey of (2R)-2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-5-methoxy-5-oxopentanoic acid?
The InChIKey is VNJMNAIKLYXLEE-SECBINFHSA-N. The full InChI is InChI=1S/C12H23N3O5/c1-4-15(2)8-7-13-12(19)14-9(11(17)18)5-6-10(16)20-3/h9H,4-8H2,1-3H3,(H,17,18)(H2,13,14,19)/t9-/m1/s1.
What are the key properties of (2R)-2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-5-methoxy-5-oxopentanoic acid?
(2R)-2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-5-methoxy-5-oxopentanoic acid has a molecular weight of 289.33 g/mol, XLogP of -0.36, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-5-methoxy-5-oxopentanoic acid is sourced from PubChem (CID 107827547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).