(4R)-4-(methylamino)-5-oxo-5-[[2-oxo-2-(2-oxopropylamino)ethyl]amino]pentanoic acid

C11H19N3O5 — CID 168928235

IUPAC(4R)-4-(methylamino)-5-oxo-5-[[2-oxo-2-(2-oxopropylamino)ethyl]amino]pentanoic acid
SMILESCN[C@H](CCC(=O)O)C(=O)NCC(=O)NCC(C)=O
InChIInChI=1S/C11H19N3O5/c1-7(15)5-13-9(16)6-14-11(19)8(12-2)3-4-10(17)18/h8,12H,3-6H2,1-2H3,(H,13,16)(H,14,19)(H,17,18)/t8-/m1/s1
InChIKeyRWHQERPQGXATFS-MRVPVSSYSA-N
MW273.29 g/mol
LogP-1.74
Rot. Bonds9

About (4R)-4-(methylamino)-5-oxo-5-[[2-oxo-2-(2-oxopropylamino)ethyl]amino]pentanoic acid

(4R)-4-(methylamino)-5-oxo-5-[[2-oxo-2-(2-oxopropylamino)ethyl]amino]pentanoic acid (PubChem CID 168928235) has the molecular formula C11H19N3O5 and a molecular weight of 273.29 g/mol. Its IUPAC name is (4R)-4-(methylamino)-5-oxo-5-[[2-oxo-2-(2-oxopropylamino)ethyl]amino]pentanoic acid.

Molecular Properties

Compound Name(4R)-4-(methylamino)-5-oxo-5-[[2-oxo-2-(2-oxopropylamino)ethyl]amino]pentanoic acid
PubChem CID168928235
Molecular FormulaC11H19N3O5
Molecular Weight273.29 g/mol
Exact Mass273.13
IUPAC Name(4R)-4-(methylamino)-5-oxo-5-[[2-oxo-2-(2-oxopropylamino)ethyl]amino]pentanoic acid
SMILESCN[C@H](CCC(=O)O)C(=O)NCC(=O)NCC(C)=O
InChIInChI=1S/C11H19N3O5/c1-7(15)5-13-9(16)6-14-11(19)8(12-2)3-4-10(17)18/h8,12H,3-6H2,1-2H3,(H,13,16)(H,14,19)(H,17,18)/t8-/m1/s1
InChIKeyRWHQERPQGXATFS-MRVPVSSYSA-N
XLogP-1.74
TPSA124.60 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 5-1.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (4R)-4-(methylamino)-5-oxo-5-[[2-oxo-2-(2-oxopropylamino)ethyl]amino]pentanoic acid with MolForge

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Related Compounds

methyl 4-(methylamino)-5-oxo-5-(2-oxopropylamino)pentanoate
CID 154660465
18-[[(1S)-1-carboxy-4-[[(1S)-1-carboxy-4-[[2-[[2-[[(2S)-4-carboxy-1-[[(2S)-3-hydroxy-1-oxo-1-(2-oxopropylamino)propan-2-yl]amino]-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-4-oxobutyl]amino]-4-oxobutyl]amino]-18-oxooctadecanoic acid
CID 144733383
4-amino-5-oxo-5-(2-oxopropylamino)pentanoic acid
CID 123673519
(4S)-5-[2-[[(2S)-3-amino-2-(methylamino)propanoyl]amino]ethylamino]-4-(methylamino)-5-oxopentanoic acid;ethane
CID 144903460
5-[3-[[3-amino-2-(methylamino)propanoyl]amino]propylamino]-4-(methylamino)-5-oxopentanoic acid
CID 123412371
2-[2-(methylamino)pentanoylamino]acetic acid
CID 154969168
ethane;methyl (4S)-4-(methylamino)-5-oxo-5-(2-oxopropylamino)pentanoate;S-methyl propanethioate
CID 154660462
(4S)-5-iodo-4-(methylamino)-5-oxopentanoic acid
CID 118303517
5-(2-acetamidoethylamino)-4-[[5-methoxy-2-(methylamino)-5-oxopentanoyl]amino]-5-oxopentanoic acid
CID 174184455
2-[[2-[[2-[(2-amino-3-carboxypropanoyl)amino]acetyl]amino]acetyl]amino]pentanedioic acid
CID 18249442
2-[[2-[[(2S)-2-(methylamino)-3-phenylpropanoyl]amino]acetyl]amino]acetic acid
CID 70669722
3-[2-((113C)methylamino)(5,6-13C2)hexanoylamino]propanoic acid
CID 135251442

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(methylamino)-5-oxo-5-[[2-oxo-2-(2-oxopropylamino)ethyl]amino]pentanoic acid?
The IUPAC name of (4R)-4-(methylamino)-5-oxo-5-[[2-oxo-2-(2-oxopropylamino)ethyl]amino]pentanoic acid (CID 168928235) is (4R)-4-(methylamino)-5-oxo-5-[[2-oxo-2-(2-oxopropylamino)ethyl]amino]pentanoic acid.
What is the SMILES notation for (4R)-4-(methylamino)-5-oxo-5-[[2-oxo-2-(2-oxopropylamino)ethyl]amino]pentanoic acid?
The canonical SMILES for (4R)-4-(methylamino)-5-oxo-5-[[2-oxo-2-(2-oxopropylamino)ethyl]amino]pentanoic acid is CN[C@H](CCC(=O)O)C(=O)NCC(=O)NCC(C)=O.
What is the InChIKey of (4R)-4-(methylamino)-5-oxo-5-[[2-oxo-2-(2-oxopropylamino)ethyl]amino]pentanoic acid?
The InChIKey is RWHQERPQGXATFS-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H19N3O5/c1-7(15)5-13-9(16)6-14-11(19)8(12-2)3-4-10(17)18/h8,12H,3-6H2,1-2H3,(H,13,16)(H,14,19)(H,17,18)/t8-/m1/s1.
What are the key properties of (4R)-4-(methylamino)-5-oxo-5-[[2-oxo-2-(2-oxopropylamino)ethyl]amino]pentanoic acid?
(4R)-4-(methylamino)-5-oxo-5-[[2-oxo-2-(2-oxopropylamino)ethyl]amino]pentanoic acid has a molecular weight of 273.29 g/mol, XLogP of -1.74, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(methylamino)-5-oxo-5-[[2-oxo-2-(2-oxopropylamino)ethyl]amino]pentanoic acid is sourced from PubChem (CID 168928235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).